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University of Alberta
Optimal Control of Fixed-Bed Reactors with Catalyst Deactivation
by
Leily Mohammadi Sardroud
A thesis submitted to the Faculty of Graduate Studies and Research in partialfulfillment of the requirements for the degree of
Doctor of Philosophy.
in
Chemical Engineering
Department of Chemical and Materials Engineering
c�Leily Mohammadi Sardroud.Spring 2013
Edmonton, Alberta
Permission is hereby granted to the University of Alberta Library to reproduce single copies of this thesis and to
lend or sell such copies for private, scholarly or scientific research purposes only.Where the thesis is converted to, or
otherwise made available in digital form, the University of Alberta will advise potential users of the thesis of these
terms.
The author reserves all other publication and other rights in association with the copyright in the thesis, and except
as hereinbefore provided, neither the thesis nor any substantial portion thereof may be printed or otherwise
reproduced in any material form whatever without the author’s prior written permission.
To my beloved parents · · ·
Bu tezi sevgili annem ve babama ithaf ediyorum · · ·
Abstract
Catalytic reactors have widespread applications in chemical and petrochemical
industries. The most well known type of catalytic reactors are fixed-bed or packed-bed
reactors where the reaction takes place on the surface of the catalyst.
One of the most important phenomena that takes place in a catalytic fixed-
bed reactor is catalyst deactivation. Catalyst deactivation can have variety of
consequences. It can have negative e↵ects on the conversion and selectivity of the
desired reaction. Consequently, it will a↵ect the productivity and energy e�ciency
of the plant. It is therefore important to design e�cient controllers that are able
to track the optimal pre-defined trajectories of the operating conditions to ensure
optimal operation of the plant.
Depending on the transport and reaction phenomena occuring in a fixed-bed
reactor, it can be modelled by a set of partial di↵erential equations (PDEs) or a mixed
set of PDEs and ordinary di↵erential equations (ODEs). Moreover, the governing
transport phenomena (i.e. di↵usion or convection) dictates the type of PDEs involved
in the model of the reactor (i.e. parabolic or hyperbolic).
In this work, infinite dimensional optimal control of a fixed-bed reactor with
catalyst deactivation is studied. Since dynamical properties of hyperbolic PDEs
and parabolic PDEs are completely di↵erent, they are discussed as di↵erent topics.
The thesis begins with optimal control of a class of fixed bed reactors with catalyst
deactivation modelled by time-varying hyperbolic equations. Then the model
predictive control of this class of distributed parameter systems under parameter
uncertainty is explored. The optimal control of reactors modelled by parabolic PDEs
is first explored for the case of reactors without catalyst deactivation. Then the
proposed controller is extended to a more general class of distributed parameter
systems modelled by coupled parabolic PDE-ODE systems which can represent fixed-
bed reactors with the rate of deactivation modelled by a set of ODEs.
Numerical simulations are performed for formulated optimal controllers and their
performance is studied.
Acknowledgements
I would like to express my appreciation to my supervisor, Dr. Fraser Forbes, who
encouraged and guided me through all stages of my research. His support and
helpful suggestions were invaluable basis for successful completion of my research.
His excellent supervision provided me with the opportunity to learn how to think
critically, solve problems e�ciently and conduct research independently.
I would also like to express my gratitude to my co-supervisor, Dr. Stevan Dubljevic,
for always being available and challenging me to do better.
I would like to thank Dr. Michel Perrier, Dr. Sirish Shah, and Dr. William
McCa↵rey, who kindly reviewed and evaluated this thesis. I would also like to thank
Dr. Ilyasse Aksikas for the technical discussions and help he provided throughout my
research.
I am grateful to the wonderful friends who supported me emotionally throughout
this program and made this journey much easier: Natalia Marcos, Sahar Navid
Ghasemi, Vida Moayedi, Sarah Nobari, Negin & Negar Razavilar, Maryam & Leila
Zargarzadeh, Garrett & Rayna Beaubien. My special appreciation goes to Padideh G.
Mohseni and Amir Alizadeh who played the role of my family when I was thousands
of kilometres away from them. My research was also benefited from Padideh and
Amir’s technical discussions.
Most important of all, I would like to thank my family in Iran for their
unconditional love and support. Their faith in my capabilities has always been the
greatest source of strength in all stages of my life .
Contents
1 Introduction 1
1.1 Control of distributed parameter systems . . . . . . . . . . . . . . . . 4
1.2 Scope and outline . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7
2 LQ Control of Time-Varying Hyperbolic Systems 9
2.1 Time-Varying Hyperbolic DPS: Background . . . . . . . . . . . . . . 11
2.2 Problem Statement: Time-Varying Hyperbolic PDEs . . . . . . . . . 14
2.3 Optimal Control Design . . . . . . . . . . . . . . . . . . . . . . . . . 16
2.4 Case study: A Fixed-Bed Hydrotreater . . . . . . . . . . . . . . . . . 18
2.4.1 Trajectory and stability analysis . . . . . . . . . . . . . . . . . 22
2.5 Numerical Simulations . . . . . . . . . . . . . . . . . . . . . . . . . . 26
2.6 Summary . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29
3 Robust Constrained MPC of Coupled Hyperbolic Systems 34
3.1 Characteristics-Based MPC . . . . . . . . . . . . . . . . . . . . . . . 38
3.2 Robust Characteristic-Based MPC . . . . . . . . . . . . . . . . . . . 46
3.3 Case Study . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50
3.4 Summary . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 52
4 LQ Control of Di↵usion-Convection-Reaction Systems 55
4.1 Parabolic DPS: Background . . . . . . . . . . . . . . . . . . . . . . . 58
4.2 LQ Control of Parabolic DPS . . . . . . . . . . . . . . . . . . . . . . 62
4.2.1 Eigenvalue Problem . . . . . . . . . . . . . . . . . . . . . . . . 67
4.3 Stability Analysis . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 73
4.4 Case Study: A Fixed-Bed Reactor with Axial Dispersion . . . . . . . 77
4.4.1 Model Description . . . . . . . . . . . . . . . . . . . . . . . . 77
4.4.2 Simulation Study . . . . . . . . . . . . . . . . . . . . . . . . . 81
4.5 Summary . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 87
5 LQ Control of Coupled Parabolic PDE-ODE systems 89
5.1 Coupled PDE-ODE Systems: Mathematical Description . . . . . . . . 91
5.2 Coupled PDE-ODE Operator: Eigenvalue Problem . . . . . . . . . . 97
5.3 Stability Analysis of PDE-ODE Systems . . . . . . . . . . . . . . . . 100
5.4 LQ Control of PDE-ODE Systems . . . . . . . . . . . . . . . . . . . . 102
5.5 Case study: Catalytic Cracking Reactor with Catalyst Deactivation . 103
5.6 Numerical Simulations . . . . . . . . . . . . . . . . . . . . . . . . . . 108
5.7 Summary . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111
6 Conclusions and Recommendations 113
6.1 Future Work . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116
Bibliography 118
List of Tables
2.1 Model Parameters . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 28
4.1 Model Parameters . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 81
4.2 Comparison of the l2-norm . . . . . . . . . . . . . . . . . . . . . . . . 86
5.1 Model Parameters . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108
List of Figures
2.1 Schematic diagram of the hydrotreating reactor . . . . . . . . . . . . 18
2.2 Time-varying LQ-feedback functions �1
and �2
, ↵ = 1 ⇥ 10�2 . . . . 30
2.3 Time-invariant LQ-feedback functions �1
and �2
, ↵ = 1 ⇥ 10�2 . . . 31
2.4 Integral average of the error . . . . . . . . . . . . . . . . . . . . . . . 32
2.5 Manipulated variable, ↵ = 1 ⇥ 10�2 . . . . . . . . . . . . . . . . . . 33
3.1 Calculation of the state variable along the characteristic curves . . . . 40
3.2 Prediction of state variables for a1
/a2
= 0.4 . . . . . . . . . . . . . . 40
3.3 Prediction of state variables for a1
/a2
= 0.5 . . . . . . . . . . . . . . 45
3.4 Prediction of state variables for a1
/a2
= 0.6 . . . . . . . . . . . . . . 46
3.5 Temperature trajectory under the robust controller . . . . . . . . . . 51
3.6 Concentration trajectory under the robust controller . . . . . . . . . . 52
3.7 Input trajectory under the robust controller . . . . . . . . . . . . . . 53
3.8 Output trajectory under the robust controller . . . . . . . . . . . . . 54
4.1 Approximation of the reactor as a composite media . . . . . . . . . . 69
4.2 Schematic diagram of the catalytic cracking reactor . . . . . . . . . . 78
4.3 Steady state profile of yA and yB . . . . . . . . . . . . . . . . . . . . 82
4.4 Second element of �n given by Equation (4.67) and Equations (4.62)-
(4.63) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 83
4.5 Third element of �n given by Equation (4.67) and Equations (4.62)-(4.63) 83
4.6 Closed loop trajectory of yB . . . . . . . . . . . . . . . . . . . . . . . 84
4.7 Closed loop trajectory of the input variable (Inlet Concentration) . . 85
4.8 Closed loop trajectory of yB for finite dimensional controller . . . . . 86
4.9 Trajectory of tracking error . . . . . . . . . . . . . . . . . . . . . . . 87
5.1 Second element of �n given by Equation (4.67) and Equations (4.62)-
(4.63) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110
5.2 Third element of �n given by Equation (4.67) and Equations (4.62)-(4.63)110
5.3 Closed loop trajectory of error yB � yBss . . . . . . . . . . . . . . . . 111
5.4 Optimal input trajectory . . . . . . . . . . . . . . . . . . . . . . . . . 112
1Introduction
Catalytic reactors have widespread applications in chemical and petrochemical
industries. They can be regarded as the heart of a chemical plant. The most well
known type of catalytic reactors are fixed-bed or packed-bed reactors, where the
reaction takes place on the surface of the catalyst.
In a chemical plant, commonly the reactors are followed by other unit operations
such as separation processes. Thus, the operation of the downstream processes
strongly depends on the quality of the products from the reactors. Hence, optimal
operation of reactors in each plant is of key economical and operational importance.
One important phenomena that takes place in a catalytic fixed-bed reactor is
catalyst deactivation. Chemical reactions occur on the active sites of the catalyst.
These active sites may be lost for a variety of reasons like coking, poisoning or
sintering. The loss of active sites results in decrease in the activity of the catalyst, as
the activity is proportional to the number of available active sites.
Catalyst deactivation can have variety of consequences. It can have negative
1
2
e↵ects on the conversion and selectivity of the desired reaction. Consequently, it
will a↵ect the productivity and energy e�ciency of the plant. In order to compensate
for the e↵ect of catalyst deactivation, the operating conditions of the reactor are
gradually changed to maintain the selectivity and conversion, which is equivalent to
maintaining the overall quality and rate of production. This is commonly performed
by calculation of optimal trajectories for operating conditions through an o↵-line
dynamic optimization problem. These trajectories are used as the set-point variables
for the controllers. It is therefore important to design e�cient controllers that are
able to track the pre-defined trajectories of the operating conditions.
Temperature is one of the key parameters a↵ecting the reaction rate and selectivity.
An important issue in control of a fixed-bed reactor is to ensure that the reactor
temperature does not exceed the maximum allowable temperature for the catalyst.
In addition to e↵ects on selectivity and conversion, catalyst deactivation may cause
thermal instability of the reactor. Dependence of catalyst activity on concentration
and temperature results in non-uniform catalyst activity in fixed-bed reactors. If
temperature disturbances occur upstream of the reactor, variation in catalyst activity
can result in temperature excursions that are much larger than those in beds of
uniform activity (Jaree et al., 2001; Jaree et al., 2008). The best approach for
temperature control of the fixed-bed reactors is to control the temperature profile
along the length of the reactor. This requires availability of multiple thermocouples
along the length of the reactor and an e�cient controller.
With growing development of advanced control technologies at the industrial scale,
application of model based controllers has become possible. A high-fidelity model of
the process is a key factor for successful implementation of model-based controllers.
Therefore, in the last few decades extensive studies have been performed to develop
controllers using accurate models of the processes.
Modelling and control of fixed-bed reactors have been the topic of many researches
since early 70’s. The earliest models of the fixed-bed reactors were developed by
approximation of a fixed-bed reactor by a sequence of continuous flow stirred tank
3
reactors (CSTR). In this approach the reactor is modelled by a finite number of well-
mixed reactors in series. As the number of the reactors increases, the accuracy of the
model increases, but only an infinite number of interacting CSTRs would be able to
provide an accurate model of a simple fixed-bed reactor.
More sophisticated models of a fixed-bed reactor can be obtained by solving mass
and energy balance equations for the reactor. In order to capture all of the main
“macroscopic” phenomena (i.e., reactions, di↵usion, convection, and so forth), the
model of a fixed-bed reactor takes the form of a set of partial di↵erential equations.
The rate of catalyst deactivation can be modelled by time-varying algebraic equations
or in more complex cases by ordinary di↵erential equations; hence, integration of
catalyst deactivation dynamics into the model of the system results in a set of time-
varying PDEs or a set of coupled PDE-ODE equations. Depending on the governing
transport phenomena in a chemical process, i.e. di↵usion or convection, the partial
di↵erential equations modelling the process may be a set of hyperbolic or parabolic
equations.
In control theory, systems similar to a fixed-bed reactor are regarded as distributed
parameter systems where the dependent variables are functions of time and space;
as opposed to lumped parameter systems where the dependent variables are only
functions of time (e.g., a well-mixed reactor). Other examples of distributed
parameter systems in chemical engineering are fluidized bed reactors, heat exchangers
and reactive distillation columns.
Traditionally, the majority of control methods have been developed for lumped
parameter systems. Thus, the distributed parameter systems are commonly
approximated with lumped parameter systems and controlled using algorithms for
such lumped systems. Due to the widespread existence of DPS and economic benefits
of precise control of these systems, developing controllers that use the most accurate
model of these systems can have substantial performance benefit. Motivated by this,
this thesis is focused on formulation of high performance controllers for distributed
parameter systems with special emphasis on fixed-bed catalytic reactors. In the
Sec. 1.1 Control of distributed parameter systems 4
following sections the available studies on the topic of distributed parameter systems
and the outline of the thesis will be summarized.
1.1 Control of distributed parameter systems
As mentioned before, the most conventional approaches for control of DPS use
lumping techniques to approximate the PDE model of the system by a set of coupled
ODEs. Methods such as finite di↵erences may be used for spatial discretization,
resulting in approximations that consist of ordinary di↵erential equations; however,
such approximations may not be suitable for high performance control schemes, as the
dimensionality of the produced sets of ODEs can be very high when trying to ensure
high performance control. Also controllability and observability of the system will
depend on the number and location of the discretization points (Christofides, 2001).
Another approach for control of DPS is to develop the control algorithm based on
the PDEs and discretize the resulting controller during the implementation. The
advantage of this approach is that the controller synthesis is based on the original
model of the system which represent all the dynamical properties of the system
without any approximation. Over the recent years, research on the control of DPS is
oriented towards development of algorithms that deal with infinite dimensional nature
of these systems.
Mathematical theory of optimal control of distributed parameter systems began in
late 1960s in the work of Lions (1971) and followed by other researchers (e.g., Banks
and Kunisch (1984), Kappel and Salamon (1990) and Curtain and Zwart (1995)).
In a functional analysis framework, systems modelled by PDEs can be formulated
in a state space form similar to that for lumped parameter systems by introducing
a suitable infinite-dimensional space and operators instead of usual matrices in
lumped parameter systems. The type of PDE system (e.g. hyperbolic, parabolic
or elliptic) determines the approach followed for the solution of the control problem
(Christofides, 2001). Based on the governing phenomenon in a chemical process,
convection or di↵usion, the model equations can be hyperbolic or parabolic.
Sec. 1.1 Control of distributed parameter systems 5
For hyperbolic systems, Callier and J.Winkin (1990)-(1992) studied the LQ control
problem using spectral factorization for the case of finite rank bounded observation
and control operators. Aksikas (2005) extended this approach for the more general
case of exponentially stable linear systems with bounded observation and control
operators. In his work, this method was applied to a nonisothermal plug flow reactor
to regulate the temperature and the reactant concentration in the reactor. The
optimal control problem for a particular class of hyperbolic PDEs is solved via the
well-known Riccati equation, which is developed in a series of papers by Aksikas and
co-workers. (e.g., Aksikas and Forbes (2007), Aksikas et al. (2008a), Aksikas et al.
(2008b), etc). The approach taken in this body of work does not address the case of
time-varying and two time-scale hyperbolic systems, which can model many chemical
engineering processes, including fixed-bed reactors with catalyst deactivation.
In the framework of model predictive control, Shang et al. (2004) studied
characteristic-based model predictive control of hyperbolic systems. The proposed
MPC is shown to have high computation e�ciency without any approximation;
however, input and output constraints are not addressed in this work.
The conventional approach for dealing with parabolic systems is modal
decomposition (Ray, 1981). The main characteristic of parabolic systems is that their
spectrum can be partitioned into a finite slow part and an infinite fast complement.
This feature has been used by many researchers to perform model reduction and
synthesize finite dimensional models representing the distributed parameter system
with arbitrary accuracy (See Christofides (2001), Dubljevic et al. (2005) and references
therein). The low dimensional model is used to formulate predictive controllers
for the infinite dimensional system. Although the model reduction method is
computationally e�cient for di↵usion dominant systems, it can result in a high
dimensional system for convection dominant parabolic systems. Moreover, control
of time-varying infinite dimensional systems as well as coupled systems have not been
explored.
The control action in a DPS can be distributed over the spatial domain of the
Sec. 1.1 Control of distributed parameter systems 6
system, or can be applied at the boundary. For example, in the case of a fixed-bed
reactor, the manipulated variable can be inlet temperature (i.e., boundary control)
or the temperature profile of the cooling jacket (i.e., distributed control). Boundary
control systems are mathematically more challenging than systems with distributed
control actions. Boundary control of DPS has been explored by few studies. Curtain
and Zwart (1995) and Emirsjlow and Townley (2000) address the transformation of
the boundary control problem into a well-posed abstract control problem. Recently,
Byrnes et al. (2006) studied the boundary feedback control of parabolic systems using
zero dynamics. The proposed algorithm is limited to parabolic systems with self-
adjoint operator A, therefore cannot be used for chemical reactors that are modelled
by multiple PDEs with non-symmetric coupling.
Although the topic of optimal control of infinite dimensional systems is explored
by many researchers, the more complicated case of distributed parameter systems
modelled by a set of coupled PDEs has not been as well studied. Dynamics of a
fixed-bed reactor and most of other chemical processes are modelled by more than one
equation (e.g., mass and energy balances) and these equations are coupled. Available
infinite dimensional controllers are not able to address coupling in the modelling
equations.
As mentioned before, integration of deactivation kinetics into the model of the
reactor leads to a set of time-varying PDEs or a set of coupled PDEs-ODEs. The
research in the area of coupled PDE-ODE systems is relatively scarce and will be
addressed in this thesis.
Motivated by the fact that the precise control of fixed-bed catalytic reactors is of
key importance in chemical industry, the focus of this thesis is infinite dimensional
control of fixed-bed reactors. Each chapter addresses a class of distributed parameter
systems that can represent an industrial fixed-bed reactor. Although the emphasis is
on fixed-bed reactors, the developed controllers are capable of controlling any system
that is modelled by the studied class of distributed parameter systems in each chapter.
Sec. 1.2 Scope and outline 7
1.2 Scope and outline
As mentioned before, catalytic reactors are the most important part of chemical plants
and the optimal control of them has significant economic importance. Integration
of catalyst deactivation in the modelling of the fixed-bed reactor introduces some
complications to the system. The objective of this thesis is to study optimal
control of fixed-bed reactors modelled by a set of partial di↵erential equations.
The main goal is to formulate optimal controllers that are able to mitigate or
ameliorate the e↵ect of catalyst deactivation on reactor performance using the
distributed parameter model of the reactor with no or minimal approximation to
directly formulate the controller. Since hyperbolic and parabolic systems have
completely di↵erent dynamical behaviour and require di↵erent approaches to solve
the control problem, the thesis is divided to two parts. Hyperbolic systems that model
reactors with negligible di↵usion are studied in chapters 2-3 and parabolic systems
modelling di↵usion-convection-reaction systems are discussed in chapters 4-5. The
thesis begins with a simple case of a catalytic reactor with negligible di↵usion and
simple exponentially decaying deactivation kinetics and ends with a complicated case
of di↵usion-convection-reaction system where the catalyst deactivation is represented
by a set of ODEs.
In Chapter 2, it is assumed that the e↵ect of di↵usion is negligible and the system
can be modelled by a set of hyperbolic equations. It is further assumed that the
e↵ect of catalyst deactivation appears as time-varying reactive terms in the PDEs,
resulting in a time-varying infinite dimensional system. This chapter is extension
of the work of Aksikas et al. (2008a), which addresses a less complex case of plug
flow reactors. Conditions on the stabilizability of these systems are studied and
an infinite dimensional LQ controller is formulated to regulate the trajectory of the
output variables around the steady state profile of the system and eliminate the e↵ect
of catalyst deactivation.
Motivated by the fact that the mathematical model of a system always has some
uncertainty, as well as existence of input and output constraints in a plant, in Chapter
Sec. 1.2 Scope and outline 8
3 robust constrained model predictive control of uncertain coupled hyperbolic systems
is studied. It is assumed that the uncertainty in the reactor model arises from
unknown kinetic coe�cients and uncertainty in the inlet flow measurements. In this
work, the system has polytopic uncertainties and a robust MPC using method of
characteristics is developed to ensure satisfaction of input and output constraints
under parameter uncertainty.
Chapter 4 focuses on development of an LQ controller for coupled parabolic systems
modelling a fixed-bed reactor, where both di↵usion and convection phenomena are
significant. An innovative approach is proposed to solve the eigenvalue problem
for coupled parabolic systems with spatially varying coe�cients resulting from
linearization around the steady state profile of the system. Stabilizability of the
system is studied using its spectral properties. Finally, an LQ controller is formulated
and solved using the spectral properties of the system. This chapter is a significant
step in the formulation of a more complicated case for catalytic reactors with catalyst
deactivation modelled by a set of ODEs (i.e., infinite dimensional systems modelled
by coupled PDE-ODE systems), which is developed in Chapter 5.
In Chapter 5, stabilizability and optimal controller formulation for systems
modelled by coupled PDE-ODE systems with in-domain coupling are studied.
Such systems represent fixed-bed reactors with significant di↵usion and convection,
where catalyst deactivation is represented by a set of ODEs. Using several exact
transformations, the set of coupled PDE-ODE system is decoupled and represented
as a Riesz Spectral system. Then, the LQ controller formulated in Chapter 4 is
extended to this form of infinite dimensional systems.
Chapter 6 is the conclusion of the thesis and summarizes the contributions of this
work and possibilities for future work.
2LQ Control of Time-Varying Hyperbolic
Systems
In this chapter the issue of the optimal control of a fixed-bed reactor with negligible
di↵usion and catalyst deactivation is studied. The system is modelled by a set
of coupled time-varying hyperbolic partial di↵erential equations and it is assumed
that the catalyst deactivation is captured through time-varying reaction rates. An
infinite dimensional LQ optimal controller is formulated by solving the corresponding
operator Riccati equation1.
1Portions of this chapter have been published in “Mohammadi, L., I. Aksikas and J. F. Forbes
(2009), Optimal Control of a Catalytic Fixed-Bed Reactor with Catalyst Deactivation. Proceedings
of the American Control Conference”; and submitted to “Mohammadi, L., I. Aksikas, S. Dubljevic,
J. F. Forbes and Y. Belhamadia, Optimal Control of a Catalytic Fixed-Bed Reactor With Catalyst
Deactivation. Journal of Process Control”
9
10
In a catalytic reactor, the catalyst may deactivate during the operation for a variety
of reasons (e.g., poisoning by impurities in feed, formation of coke on catalyst surface,
and so forth). Deactivation of the catalyst can significantly a↵ect the performance
of the reactor. Due to the economic importance of e↵ective operation of catalytic
reactors in chemical plants, formulation of high performance controllers that can
maintain the process at optimal conditions is of crucial importance.
Incorporation of the catalyst deactivation in kinetic modelling of the reaction
results in a time-varying reaction rate. A simplifying assumption in modelling of
a catalytic reactor is existence of negligible di↵usion. Therefore, a catalytic reactor
with negligible di↵usion and decaying catalyst can be modelled by a set of time-
varying hyperbolic PDEs. Many other chemical processes can also be modelled by
this class of infinite dimensional systems (e.g., a counter current heat exchanger with
time-varying heat transfer coe�cient).
The objective of this chapter is to formulate an infinite dimensional state-feedback
LQ controller for systems that are described by a set of time-varying hyperbolic
PDEs. This chapter establishes a baseline for the development of controllers for
more complicated infinite dimensional systems with mixed di↵usion and convection
transport phenomena.
In the recent years, much work has been published on infinite dimensional control
of hyperbolic systems. In the framework of functional analysis, Aksikas et al. (2009)
studied the solution of LQ control problem for hyperbolic systems by solving an
operator Riccati equation. Spectral factorization, which is based on frequency-
domain description, is an alternative method for solving the LQ problem (Callier
and J.Winkin (1990) and Callier and Winkin (1992)). These approaches address only
optimal control of time-invariant hyperbolic systems.
Control of time-varying hyperbolic systems is studied by Aksikas et al. (2008a),
but the approach is limited to plug flow reactors. Models of plug flow reactors consist
of a set of hyperbolic equations with identical convective term. In these systems,
mass and energy balances both have the same time scale. Generally, the model of a
Sec. 2.1 Time-Varying Hyperbolic DPS: Background 11
catalytic reactor consists of multiple PDEs with distinct convective terms and as a
result, the PDEs are multi-time scale set of equations.
The scope of this chapter is time-varying hyperbolic systems with specific focus
on fixed-bed catalytic reactors. A case study of a fixed-bed hydrotreating reactor is
chosen. The goal is to formulate an infinite dimensional LQ controller to regulate
the temperature profile around the desired steady state trajectory and eliminate the
e↵ect of catalyst deactivation.
In this chapter, the approach proposed by Aksikas et al. (2008a) is extended to
the general form of time-varying hyperbolic systems. Also, stability of these systems
is studied using a Lyapunov approach. After formulation of the LQ controller, the
e↵ect of rate of catalyst deactivation on the closed loop performance of the controller
has been investigated through numerical simulations.
The contributions of this chapter are:
• Stability analysis of a general form of linear time-varying hyperbolic systems;
• Solution of LQ optimal control problem for a general form of linear time-varying
hyperbolic systems;
• Implementation of the formulated controller on a fixed-bed reactor.
2.1 Time-Varying Hyperbolic DPS: Background
In this section, we will provide some background information on the infinite
dimensional representation of time-varying hyperbolic systems. These concepts will
be used throughout this chapter to formulate the infinite dimensional controller and
also analyze the stability of the time-varying infinite dimensional systems. As an
example, we will begin with a simple homogeneous hyperbolic equation. It will be
shown, how a system of PDEs can be formulated as an infinite dimensional system
and the fundamental properties of time-varying infinite dimensional systems will
be presented. Consider the initial value problem given by the following hyperbolic
equation:
Sec. 2.1 Time-Varying Hyperbolic DPS: Background 12
@x
@t= �@x
@z+ k(t)x
x(s, z) = xs(z)
x(t, 0) = 0
(2.1)
where x denotes the dependent variable, t is time and z denotes space. s is the initial
time. The solution of PDE (2.1) is given by
x(t, z) =
8<
:xs(z � t) exp(
R z
z�tk(⌫)d⌫)
0(2.2)
By introducing X = L2(0, 1) as the state space and x(., t) = {x(z, t), 0 z 1} as
state variable, and the operator A
A(t)h =dh
dz(2.3)
with the domain
D(A(t)) = {h 2 L2(0, 1)|h is absolutely continuous (a.c.),dh
dz2 L2(0, 1) and h(0) = 0}
(2.4)
Equation (2.1) can be represented as an abstract infinite dimensional system
x(t) = A(t)x(t)
x(s) = xs
(2.5)
The infinite dimensional representation of the solution (2.2) can be written as
x(t, z) = (U(t, s)xs)(z) = exp(
Z z
z�t
k(⌫)d⌫)xs(z � t) (2.6)
U(t, s) is the solution operator of the initial value problem (2.1) and is a two
parameter family of operators. If the operator A(t) is independent of t, then the two
parameter family of operators U(t, s) reduces to a one parameter family U(t), which
is the semigroup generated by A.
Evolution system theory is the generalization of the concept of the semigroup
for autonomous operators to the non-autonomous operators, where operator A is a
function of t. For the rest of this section fundamental concepts related to evolution
systems will be introduced.
Sec. 2.1 Time-Varying Hyperbolic DPS: Background 13
Definition 2.1.1. (Pazy, 1983, Definition 5.3, p. 129) A two parameter family of
bounded linear operators U(t, s), 0 s t T , on X is called an evolution system
if the following two conditions are satisfied:
i) U(s, s) = I, U(t, r)U(r, s) = U(t, s) for 0 s r t T
ii) (t, s) ! U(t, s) is strongly continous for 0 s t T
Definition 2.1.2. (Schnaubelt and Weiss, 2010, Definition 2.2) Let {A(t) :
D(A(t)) ! X|t 2 [0,1} be a family of densely defined linear operators on X.
We say that A(.) generates the evolution family U if U(t, s)D(A(t)) ⇢ D(A(t))
for all t, s 2 [0,1] and for every s 2 [0,1] and every x0
2 D(A(t)) the function
x(.) = T (., s)x0
is continuously di↵erentiable and is the unique solution of the Cauchy
problem
x(t) = A(t)x(t), x(s) = x0
, s t < 1 (2.7)
Definition 2.1.3. (Pazy, 1983, Definition 2.1, p. 130) A family of infinitesimal
generators of C0
-semigroups on a Banach spaceX is called stable if there are constants
M � 1 and ! such that
⇢(A(t)) � (!,1) for t 2 [0, T ] (2.8)
and �����
kY
j=1
R(� : A(tj))
����� M(�� !)�k for � > ! (2.9)
for every finite sequence 0 t1
t2
, · · · , tk T . In the equations above, ⇢(A(t)) is
the resolvent set of operator A(t) and R(� : A(tj)) is the resolvent operator defined
by
R(� : A(tj))x =
1Z
0
e��jsStj(s)xds for �j > ! (2.10)
and ⇢(A(t)) is the resolvent set of the operator A(t).
Theorem 2.1.1. (Pazy, 1983, Theorem 2.3, p. 132) Let {A(t)}t2[0,T ]
be a stable
family of infinitesimal generators with stability constants M and !. Let B(t), 0 <
Sec. 2.2 Problem Statement: Time-Varying Hyperbolic PDEs 14
t < T be bounded linear operators on X. If kB(t)k K for all 0 T , then
{A(t)+B(t)}t2[0,T ]
is a stable family of infinitesimal generators with stability constants
! +KM .
Theorem 2.1.2. (Pazy, 1983, Theorem 4.8, p. 145) Let {A(t)}t2[0,T ]
be a stable
family of infinitesimal generators of C0
-semigroups on X. If D(A(t)) = D is
independent of t and for v 2 D, A(t)v is continuously di↵erentiable in X then there
exsits a unique evolution system U(t, s), 0 s t T , satisfying the following
conditions
i) kU(t, s)k Me!(t�s) for 0 s t T
ii) @@tU(t, s)v|t=s = A(s)v for v 2 D, 0 s T
iii) U(t, s)D ⇢ D for 0 s t T
2.2 Problem Statement: Time-Varying
Hyperbolic PDEs
The problem of interest in this chapter is a system that can be modelled by a set of
coupled first-order time-varying hyperbolic PDEs in one dimensional spatial domain.
Such systems can model a fixed-bed reactor with catalyst deactivation and negligible
di↵usion. Since the objective of this chapter is to formulate an LQ controller for such
systems, it is assumed that the PDEs are linearized around the steady state profile
of the system. The mathematical description of this kind of system can be given by
the following equations
@x
@t(z, t) = V
@x
@z(z, t) +M(z, t)x(z, t) +N(z, t)u(z, t)
y(z, t) = S(z, t)x(z, t)(2.11)
with boundary and initial conditions
x(0, t) = xB 8t � 0
x(z, 0) = x0
(z) 8z 2 [0, 1](2.12)
Sec. 2.2 Problem Statement: Time-Varying Hyperbolic PDEs 15
where x(., t) = [x1
(., t), · · · , xn(., t)]T 2 H := L2(0, 1)n denotes the vector of state
variables, z 2 [0, 1] 2 R and t 2 [0,1) denote spatial position and time, respectively.
u(., t) = [u1
(., t), · · · , um(., t)] 2 U := L2(0, 1)m denotes the input variable; y(., t) =
[y1
(., t), · · · , yp(., t)] 2 Y := L2(0, 1)p denotes the output variable. M,N and C are
matrices of appropriate sizes, whose entries are functions in L1([0, 1]⇥ [0,1)). V is
a constant diagonalizable non-positive matrix. xB is a constant column vector and
x0
(z) 2 H. Since equation (2.11) is normally the result of linearization of a set of
nonlinear hyperbolic PDEs, the variables are in deviation form. Therefore, without
loss of generality, it is assumed that xB = 0.
The infinite dimensional description of the model (2.11)-(2.12) in the Hilbert space
H is:
x(t) = A(t)x(t) + B(t)u(t)
x(0) = x0
2 H
y(t) = C(t)x(t)
(2.13)
where A(t) is the family of linear operators defined on the domain
D(A(t)) = {x 2 H : x is a.c.,dx
dz2 H and x(0) = 0} (2.14)
by
A(t) = Vd.
dz+M(z, t).I (2.15)
and the input and output operators B and C are given by
B(t) = N(z, t).I and C(t) = S(z, t).I (2.16)
where I is the identity operator.
The objective is to formulate an infinite dimensional controller for the time-varying
infinite dimensional system of the form (2.13). This will be discussed in the next
section. Note that, here, the only assumption made for the form of matrix V is that
it is diagonalizable. This assumption is true if eigenvalues of matrix V are simple.
In most chemical processes, the matrix V is diagonal. The reason for diagonality
of V is that the convective transport of the state variables are independent of each
Sec. 2.3 Optimal Control Design 16
other. Hence, without loss of generality it will be assumed that matrix V is a diagonal
matrix.
2.3 Optimal Control Design
This section deals with the computation of an LQ-optimal feedback operator for
the system (2.13) by using the corresponding operator Riccati equation. The
objective of LQ-optimal control problem is to find a square integrable control
uo 2 L2[[0,1);L2(0, l)] which minimizes the cost functional
J(x0
, u) =
Z 1
0
(hCx(t), PCx(t)i + hu(t), Ru(t)i)dt (2.17)
for any initial state x0
2 H. In the cost function above, P = P0
.I 2 L(Y ) is a positive
operator and R = R0
.I 2 L(U) is a self-adjoint, coercive operator in L(U), where P0
and R0
are two positive functions.
The LQ control problem is a classical optimal control problem and its solution can
be obtained by finding the positive self-adjoint operator Q 2 L(H) that solves the
operator Riccati di↵erential equation (ORE), viz.
[Q+ A⇤Q+QA+ C⇤PC � QBR�1B⇤Q]x = 0 (2.18)
for all x 2 D(A), where Q(D(A)) ⇢ D(A⇤).
Lemma 2.3.1. (Bensoussan et al., 2007, Theorem 5.2, p.507) Consider the infinite
dimensional system (2.13), with control and observation operators given by (2.16).
Assume that {A(t), B} is exponentially stabilizable. Then the corresponding operator
Riccati equation (2.18) has a nonnegative bounded solution Q and for any initial state
x0
2 H, the quadratic cost (2.17) is minimized by the unique control uo given on t � 0
by
uo(t) = �R�1
0
B⇤Qx(t).
Sec. 2.3 Optimal Control Design 17
Now we are in a position to state the main theorem of this section, which gives an
expression of the optimal state feedback in terms of the solution of a matrix Riccati
partial di↵erential equation:
Theorem 2.3.1. Consider the linear model (2.13). Assume that P0
is a positive
matrix and R0
is a self-adjoint coercive matrix such that � := diag(�1
,�2
, · · · ,�n) is
the solution of the matrix Riccati partial di↵erential equation:
@�
@t= V
@�
@z� M⇤�� �M � C⇤
0
P0
C0
+ �B0
R�1
0
B⇤0
�,
�(t, l) = 0, t 2 [0,1](2.19)
Then Q0
:= �(t, z)I is the unique self-adjoint nonnegative solution of the operator
Riccati di↵erential equation.
Proof. Substituting Q0
:= �(t, z)I in the ORE (2.18) leads to:
[�+ A⇤�+ �A+ C⇤PC � �BR�1B⇤�]x = 0 (2.20)
where Ah = V dhdz
+ Mh and A⇤ is the adjoint operator of A and is defined by
A⇤h = �V dhdz
+M⇤h. Substituting A and A⇤ in the above equation results in:
@�
@tx = V
@�x
@z� M⇤�x � �V @x
@z� M�� C⇤PCx+ �BR�1B�x (2.21)
Since@�x
@z= �
@x
@z+@�
@zx (2.22)
equation (2.21) becomes
@�
@tx = V �
@x
@z+ V
@�
@zx � M⇤�x � �V @x
@z� M�� C⇤PCx+ �BR�1B�x (2.23)
Since V and � are both diagonal, V � = �V and the above equation can be simplified
to:@�
@tx = V
@�
@zx � M⇤�x � M�� C⇤PCx+ �BR�1B�x (2.24)
On the other hand, Qo should satisfy Qo(D(A)) ⇢ D(A⇤). This condition is only
valid if �(t, l) = 0 as this implies that �(t, l)x(l) = 0, 8x 2 D(A) and consequently
Qo(D(A)) ⇢ D(A⇤).
Sec. 2.4 Case study: A Fixed-Bed Hydrotreater 18
The condition for the existence and uniqueness of the solution for the Operator
Riccati equation, is exponential stabilizability of infinite dimensional system (2.13).
Exponential stabilizability of this system depends on parameters of the system and
should be studied for each case. In the following sections, a case study will be
considered and its exponential stability will be proven. Finally, the associated matrix
Riccati equation will be solved to find the solution for the optimal control problem.
2.4 Case study: A Fixed-Bed Hydrotreater
The process considered in this chapter is a fixed-bed hydrotreating reactor with
catalyst deactivation. The dynamics of the reactor can be described by partial
di↵erential equations derived from mass and energy balances. To model the reactor,
a plug-flow pseudo-homogeneous model is considered. Moreover, we consider a one-
spatial dimension model where there are no gradients in the radial direction. The
schematic diagram of the process is shown in Figure 2.1
Figure 2.1: Schematic diagram of the hydrotreating reactor
In the simplified system considered here, a lumped reaction kinetics equation was
assumed which has the following form (see (Chen et al., 2001)):
A+H2
! C
rA = k(t)e(�ERT )Cn1
A Cn2H
(2.25)
In the above equation, A represents Naphtha and C represents the products of the
hydrotreating reaction.
Remark 2.4.1. The more accurate kinetic model of the reaction is represented
by Langmuir-Hinshelwood-Hougen-Watson (LHHW) rate equations. Under the
Sec. 2.4 Case study: A Fixed-Bed Hydrotreater 19
assumption that all adsorption steps are weak, the LHHW rate equation will be
simplified to a power law rate equation.
Given the modeling assumptions, the dynamics of the process are described by the
following energy and mass balance partial di↵erential equations (PDE’s).
✏@CA
@t= �⌫ @CA
@z� ⇢Bk(t)e
� ERT Cn1
A Cn2H
@T
@t= �⌫ @T
@z+⇢B�Hr
⇢Cp
k(t)e�ERT Cn1
A Cn2H
(2.26)
with the boundary conditions given, for t � 0, by:
CA(0, t) = CA,in,
T (0, t) = Tin,(2.27)
The initial conditions are assumed to be given , for 0 z l, by
CA(z, 0) = CA0
(z),
T (z, 0) = T0
(z)(2.28)
In the equations above, CA, T, ✏, ⇢B, ⇢, Cp, E, CH ,�Hr, ⌫ denote the reactant
concentration, the temperature, the porosity of the reactor packing, the catalyst
density, the fluid density, the activation energy, the concentration of hydrogen, the
enthalpy of reaction, and the superficial velocity respectively. In addition, t, z and l
denote the time and space and the length of the reactor, respectively. T0
and CA0
denote the initial temperature and reactant concentration profiles, respectively, such
that T0
(0) = Tin and CA0
(0) = CA,in. k is the pre-exponential factor. As a result of
catalyst deactivation, this coe�cient varies with time. Generally k is a function of
time and operating conditions, but here we assume that the operating conditions are
maintained in narrow ranges. Therefore, k is only a function of time and is assumed
to be given by:
k = k0
+ k1
e�↵t (2.29)
The above expression for kinetics of naphtha hydrotreating reaction is in agreement
with the observations that after a rapid initial deactivation of the hydrotreating
catalyst there is a slow deactivation phase and finally a stabilization of the catalyst
activity phase (Kallinikos et al., 2008).
Sec. 2.4 Case study: A Fixed-Bed Hydrotreater 20
Since temperature and concentration of the reactor can have di↵erent orders of
magnitude, first we will transform the nonlinear equations to a dimensionless form.
Then the nonlinear equations will be linearized around the steady state profile of
the system and will be represented as an infinite dimensional system. Finally the
exponential stabilizability of the system will be proven and the optimal control
problem will be solved.
Dimensionless model
Let us consider the following state transformation:
✓1
=T � Tin
Tin
, ✓2
=CA,in � CA
CA,in
(2.30)
Then we obtain the following equivalent representation of the model (2.26).
@✓1
@t= �⌫ @✓1
@z+
�h0
+ h1
e�↵t�(1 � ✓
2
)n1 eµ✓11+✓1 (2.31)
@✓2
@t= �⌫
✏
@✓2
@z+
�l0
+ l1
e�↵t�(1 � ✓
2
)n1 eµ✓11+✓1 (2.32)
with the boundary conditions:
✓1
(0, t) = 0, ✓2
(0, t) = 0 (2.33)
where:
µ =E
RTin
, l0,1 =
⇢B✏k0,1C
n2H Cn1
Aine�µ, (2.34)
h0,1 =
⇢B(��H)
⇢CpTin
k0,1C
n2H Cn1
Aine�µ (2.35)
Infinite-dimensional linearized model
Let us denote by ✓ss and uss the dimensionless steady state profile of the model
(2.31)-(2.32) at the operating point. By defining the following state variables:
x(t) = ✓(t) � ✓ss (2.36)
Sec. 2.4 Case study: A Fixed-Bed Hydrotreater 21
and new input u(t) = ⌫(t) � ⌫ss, the linearization of the system (2.31)-(2.32) around
its operating profile leads to a linear time-varying infinite-dimensional system (2.13)
on the Hilbert space H := L2(0, l)⇥L2(0, l). Operators A(t), B and C are defined in
the following.
Operator A is given by
A(t) = V.d.
dz+M(t, z).I (2.37)
where V and M are defined by:
V :=
"v1
0
0 v2
#(2.38)
where
v1
= �⌫ss, v2
= �⌫ss✏
(2.39)
M(t, z) :=
"m
11
(t, z) m12
(t, z)
m21
(t, z) m22
(t, z)
#(2.40)
where the functions mij are given by:
m11
= µ(h0
+ h1
e�↵t)(1 � ✓
2ss)n1
(1 + ✓1ss)2
eµ✓1ss1+✓1ss ,
m12
= �n1
(h0
+ h1
e�↵t)(1 � ✓2ss)
n1�1eµ✓1ss1+✓1ss ,
m21
= µ(l0
+ l1
e�↵t)(1 � ✓
2ss)n1
(1 + ✓1ss)2
eµ✓1ss1+✓1ss ,
m22
= �n1
(l0
+ l1
e�↵t)(1 � ✓2ss)
n1�1eµ✓1ss1+✓1ss .
The input operator B = B0
.I 2 L(L2(0, l), H) is the linear bounded operator
where:
B0
=
"B
1
B2
#, (2.41)
B1
=@✓
1,ss
@z, B
2
=1
✏
@✓2,ss
@z
and it is assumed that the full state measurement is available along the length of the
reactor, therefore, C = I.
Sec. 2.4 Case study: A Fixed-Bed Hydrotreater 22
2.4.1 Trajectory and stability analysis
This section is devoted to the trajectory and the exponential stability of the linearized
fixed-bed reactor model described in the previous section. The following theorem
shows the existence and uniqueness of an evolution system generated by the family
of operators {A(t)}0tT , for any T > 0.
Theorem 2.4.1. Let T > 0. Consider the family of operators {A(t)}0tT given by
(2.37) . Then, there exists a unique evolution system UA(·, ·) : {(t, s) 2 R2 : s t T} such that
@
@tUA(t, s)x = A(t)UA(t, s)x,
8x 2 D(A(t)), 0 s t T.
Moreover, there are constants M � 1 and ! such that
kUA(t, s)k Me!(t�s), 0 s t T.
Proof. The operator A(t) can be written as
A(t) = A0
+M(t) =
"�v
1
d.dz
0
0 �v2
d.dz
#+
"m
1
(t, z)I m2
(t, z)I
m3
(t, z)I m4
(t, z)I
#(2.42)
In order to prove this theorem, it su�ces to validate assumptions of Theorem 2.1.2.
The operator A0
is independent of t. Since V < 0, the operator A0
is infinitesimal
generator of an exponentially stable C0
-semigroup. M(t), t � 0 is bounded linear
operator, then, by using Theorem 2.1.1, A(t) is a stable family of infinitesimal
generators. On the other hand the domain of A(t) is independent of time and for any
x 2 D0
, A(t)x is di↵erentiable. Therefore, all of the Theorem 2.1.2 assumptions are
satisfied.
Now we are in a position to state a theorem on the exponential stability of the
linearized model.
Sec. 2.4 Case study: A Fixed-Bed Hydrotreater 23
Theorem 2.4.2. Consider the family of operators {A(t)}t�0
as in Theorem 2.4.1.
Then {A(t)}t�0
generates an exponentially stable evolution system.
Proof. The su�cient condition for exponential stability is existence of a positive
operator P that satisfies the following operator Lyapunov di↵erential equation
(Pandolfi, 1992).
P + PA(t) + A(t)⇤P +Q = 0 with P (D(A(t))) ⇢ D(A(t)⇤) (2.43)
where,
Q = Q0
I =
"Q
1
Q2
Q2
Q3
#(2.44)
and Qi, i = 1, · · · , 3 are arbitrary functions such that the matrix Q0
is positive semi-
definite matrix. If we assume that the solution is of the form:
P (t) =
"P
1
I 0
0 P2
I
#(2.45)
where I is the identity operator and Pi is a real valued function, it can be shown that
the following identities hold:
PA = PA0
+ PM(t)I and A⇤P = A⇤0
PI +M(t)⇤PI (2.46)
On the other hand it can be shown that
PA0
+ A⇤0
PI = VdPdz
I (2.47)
Substituting Equations (2.46)-(2.47) into Equation (2.43) results in the following
matrix Lyapunov partial di↵erential equation
dPdt
= �VdPdz
� PM(t) � M(t)⇤P � Q0
, P(t, 1) = 0, t 2 [0,1) (2.48)
If one can prove that the solution for matrix Lyapunov PDE (2.48) of the form
P(t, z) =
"P
1
0
0 P2
#exists, the operator P = PI will be the solution for the operator
Sec. 2.4 Case study: A Fixed-Bed Hydrotreater 24
Lyapunov di↵erential Equation (2.43). Positiveness on P implies that the operator
P is positive as well.
In order to prove existence of a solution for Equation (2.48), the method of
characteristics is used. In this case, there are two characteristic equations as follows
dt
dr= 1, t(0) = t
0
(2.49)
dz
dr= v
1
z(0) = 0 (2.50)
dz
dr= v
2
z(0) = 0 (2.51)
Along the characteristic equations, the following equation is equivalent to the
matrix Lyapunov PDE (2.48)
dPdr
= �M⇤(r � t0
)P � PM(r � t0
) � Q0
, P(1) = 0 (2.52)
By performing a change of variable: r = 1� r, the Equation (2.52) can be converted
to the following Matrix Lyapunov equation:
dPdr
= M⇤(r + t0
)P + PM(r + t0
) +Q0
, P(0) = 0 (2.53)
Equation 2.53 can be expanded to
dP1
dr= P
1
m1
(r + t0
) +m1
(r + t0
)P1
+Q1
(2.54a)
dP2
dr= P
2
m4
(r + t0
) +m4
(r + t0
)P4
+Q3
(2.54b)
P1
m2
(r + t0
) +m3
(r + t0
)P2
+Q2
= 0 (2.54c)
Assuming that Q1
, Q3
> 0, Equations (2.54a) and (2.54b) have positive solutions
given by:
P1
(r) =
rZ
0
e
sR
0m1(⌧+t0)d⌧
Q1
e
sR
0m1(⌧+t0)d⌧
ds (2.55)
P2
(r) =
rZ
0
eR s0 m4(⌧+t0)d⌧Q
3
eR s0 m4(⌧+t0)d⌧ds (2.56)
Sec. 2.4 Case study: A Fixed-Bed Hydrotreater 25
Since Q0
is an arbitrary matrix, one can assume that it has the following form:
Q0
=
"Q
1
�(P1
m2
(r + t0
) +m3
(r + t0
)P2
)
�(P1
m2
(r + t0
) +m3
(r + t0
)P2
) Q3
#
(2.57)
If we can prove that the resulting matrix Q0
is non-negative, then it can be
concluded that the family of operators {A(t)}t�0
generates an exponential stable
evolution system. For positiveness of Q0
, the following condition should hold:
8x 2 D(A(t)), hx,Q0
xi > 0 (2.58)
or
h"
x1
x2
#,
"Q
1
x1
+Q2
x2
Q2
x1
+Q3
x2
#i > 0 (2.59)
which results in
hx1
, Q1
x1
i + hx1
, Q2
x2
i + hx2
, Q2
x1
i + hx2
, Q3
x2
i > 0 (2.60)
Since Q1
and Q3
are assumed to be positive, hx1
, Q1
x1
i and hx2
, Q3
x2
i are both
positive. If one chooses Q1
and Q2
such that Q1
>> Q2
and Q3
>> Q2
, the condition
for positiveness of Q0
holds. This proves that positive operators Q and P satisfying
the dynamic Lyapunov equation (2.43) exist and therefore {A(t)}t�0
generates an
exponentially stable evolution system.
Optimal Control Formulation
In this section the solution of the LQ controller of §2.3 is discussed for the
hydrotreating reactor with infinite dimensional model given by (2.13) and operators
A and B defined by equations (2.37) and (2.41). It is assumed that full state
measurement is available and C = I.
The solution of the LQ controller can be computed by solving the equivalent
matrix Riccati partial di↵erential equation given by equation (2.19). Considering
that M,V,B are given by (2.40), (2.38), (2.41), respectively, then the matrix Riccati
equation (2.19) can be written as a set of partial di↵erential and algebraic equations
Sec. 2.5 Numerical Simulations 26
given as follows (see Aksikas et al. (2009, Comment 3.1) and Aksikas and Forbes
(2007, Comment 3.1)):
@�1
@t= �⌫
1
d�1
dz+ 2m
11
�1
+ c11
� b11
�2
1
,
@�2
@t= �⌫
2
d�2
dz+ 2m
22
�2
+ c22
� b22
�2
2
,
0 = m21
�2
+ �1
m12
+ c12
� �1
b12
�2
,
�1
(t, l) = 0,
�2
(t, l) = 0
(2.61)
where the functions mij, cij and bij are the entries of the matrices M,C⇤0
P0
C0
and
B0
R�1
0
B⇤0
, respectively.
In the equations (2.61), there exist two unknown functions �1
,�2
. Note that there
are three equations. In general, when there exists n state variables, the number of
unknown functions is n, while the number of equations is n(n + 1)/2. Thus the
set of equations (2.61) cannot be solved to find a unique solution; however, if we
assume that some entries of weighting matrices P0
and R0
are unknown, the number
of unknown variables can be made to be equal to the number of equations and the
set of equations solved to find a unique solution for the matrix Riccati eqution. In
general, to complete the number of unknown variables, n(n � 1)/2 entries of P0
or
R0
should be assumed to be unknown. After solving the set of equations, one should
validate the positive definiteness of the weighting function.
2.5 Numerical Simulations
In this section, the performance of the proposed approach is demonstrated. Values
of the model parameters are given in Table 2.1.
The LQ-controller discussed in the previous section was studied via a simulation
that used a nonlinear model of the reactor given in Equations (2.26)-(2.28). The
performance of the proposed controller was compared to an infinite dimensional LQ
controller designed by assuming constant catalyst activity. This LQ controller was
Sec. 2.5 Numerical Simulations 27
computed using the method proposed in (Aksikas et al., 2009). The solution of LQ
controller based on the time-invariant model of the reactor can be computed by solving
a set of ODEs instead of PDEs given by (2.61). Therefore, it needs less computation
e↵ort than the LQ controller proposed in this work.
The control objective is to regulate the temperature trajectory at the desired
steady state profile. Using the nominal operating conditions and the model given in
Equations (2.26)-(2.28), the steady-state profiles of temperature and concentration
were computed. Then, the nonlinear model was linearized around the stationary
states and transformed to the infinite dimensional form of Equation (2.13). The
feedback functions �1
and �2
are computed by solving a set of equations given by
(2.61). To compute the feedback functions for the second case, it is assumed that the
reaction coe�cient is equal to k0
+k1
during the operation time. Both controllers are
applied to the original nonlinear model of the system given by Equations (2.26)-(2.28).
Simulations are performed using COMSOL R�. For handling possible numerical
instability resulting from discontinuity in the boundary/initial conditions of the
hyperbolic equations, the artificial di↵usion option of the solver is enabled. In order to
investigate the e↵ect of deactivation rate, two di↵erent values of ↵ are considered. In
the first case, ↵ = 1⇥ 10�2 the deactivation time has the same order of magnitude as
the residence time of the system, but in the second case, ↵ = 1⇥10�4, the deactivation
time is much longer than the residence time of the reactor. The feedback functions
�1
and �2
of two controllers for ↵ = 1 ⇥ 10�2 are shown in Figures 2.2-2.3. For
↵ = 1⇥10�4, the feedback functions of time-varying controller have the similar trend
but di↵erent values; however, the feedback functions of time-invariant controller are
not functions of ↵, as the deactivation is ignored for developing this controller.
To assess the performance of two controllers, it is assumed that the system is
initially at steady state and we are interested in maintaining the temperature profile
at that steady state and eliminate the e↵ect of catalyst deactivation. The integral
average of the temperature error is calculated for each case and is shown in Figure 2.4.
From Figure 2.4, one can observe that for ↵ = 1⇥ 10�2, the performance of the time-
Sec. 2.5 Numerical Simulations 28
Table 2.1: Model ParametersParameter Values unit
✏ 0.4
⇢B 700 kgcat/m3
CH 587.4437 mol/m3
n1
1.12
n2
0.85
E 81000 J/mol
R 8.314 J/mol K
CA0
0.419344 mol/m3
CAin 0.419344 mol/m3
T0
523 K
Tin 523 K
⇢ 2.7 Kg/m3
Cp 147.49 J/Kg K
�H 101.3⇥ 103 J/mol
k0
1.2384
k1
2.8896
L 0.15 m
Sec. 2.6 Summary 29
varying controller is much better than the time-invariant controller. The time-varying
controller, regulates the temperature at the desired steady state profile with almost
no error; however, the time-invariant controller results in oscillatory response with
significant error. As the catalyst deactivation rate decreases the di↵erence between
performance of two controllers decreases. For ↵ = 1⇥10�4, the time-varying controller
is still better than time invariant one, but the maximum temperature error is less than
1K which is not significant. In Figure 2.5, the trajectory of manipulated variable for
two controllers are compared. It can be observed that, although the time-varying
controller has significantly better performance for ↵ = 1 ⇥ 10�2, it does not require
an aggressive input change.
2.6 Summary
In this chapter, an LQ-optimal controller for a time-varying set of two time-scale
coupled hyperbolic equations was formulated. Exponential stability of these systems
was analyzed using Lyapunov equation. It was shown that the solution of the
optimal control problem can be found by solving an equivalent matrix Riccati partial
di↵erential equation. Numerical simulations were performed to evaluate the closed
loop performance of the formulated controller on a hydrotrating fixed-bed reactor.
The performance of the proposed controller was compared to the performance of
an infinite dimensional controller formulated by ignoring the catalyst deactivation.
Simulation results showed that the performance of the proposed controller is better
than the controller ignoring the catalyst deactivation, when the deactivation time is
comparable with resident time of the reactor.
Sec. 2.6 Summary 30
(a) �1
(b) �2
Figure 2.2: Time-varying LQ-feedback functions �1
and �2
, ↵ = 1 ⇥ 10�2
Sec. 2.6 Summary 31
0 0.05 0.1 0.15!0.05
!0.04
!0.03
!0.02
!0.01
0
0.01
0.02
0.03
z (m)
!1
!1
!2
Figure 2.3: Time-invariant LQ-feedback functions �1
and �2
, ↵ = 1 ⇥ 10�2
Sec. 2.6 Summary 32
0 500 1000 1500 2000 2500 3000 3500 4000 4500 5000!12
!10
!8
!6
!4
!2
0
2
4
t (s)
1 L
R L 0(T
�T
ss)
dz
LQ controller using time!varying model
LQ controller using time!invariant model
(a) ↵ = 1 ⇥ 10�2
0 500 1000 1500 2000 2500 3000 3500 4000 4500 5000!0.3
!0.2
!0.1
0
0.1
0.2
t (s)
1 L
R L 0(T
�T
ss)
dz
LQ controller using time!invariant model
LQ controller using time!varying model
(b) ↵ = 1 ⇥ 10�4
Figure 2.4: Integral average of the error
Sec. 2.6 Summary 33
0 500 1000 1500 2000 2500 3000 3500 4000 4500 50000.2
0.4
0.6
0.8
1
1.2
t (s)
u/u
ss
LQ controller using time!invariant model
LQ controller using time!varying model
Figure 2.5: Manipulated variable, ↵ = 1 ⇥ 10�2
3Robust Constrained MPC of Coupled
Hyperbolic Systems
In this chapter Model Predictive Control of the fixed-bed hydrotreating reactor
introduced in Chapter 2 is studied. LQ optimal controller introduced in Chapter
2 is not suitable to control processes with input/output constraints. Moreover,
LQ controller’s performance may deteriorate under parameter uncertainty. The
robust constrained characteristic MPC is formulated for the general case of
two time-scale hyperbolic system and then its performance is studied for the
case of the hydrotreating reactor. The formulated MPC controller ensures
that the input and output constraints are satisfied under parameter uncertainty1
1Portiones of this chapter have been published in “Mohammadi, L., S. Dubljevic and J. F. Forbes
(2010), Robust Characteristic- Based MPC of a Fixed-Bed Reactor. Proceedings of the American
Control Conference”.
34
35
A mathematical model of a process can never represent dynamical aspects of the
process completely. There is always some sort of uncertainty involved in modelling
a system. A typical source of model uncertainty in a chemical process is unknown
or partially known parameters like reaction rate. Presence of uncertain variables and
unmodeled dynamics, if not taken into account in the controller design, may lead
to poor performance of the controller or even to closed-loop instability. Another
important issue, which should be considered when designing a controller, is existence
of input and/or output constraints. The constraints can represent actuator limitation
or safety requirements. For example, catalytic reactors are very sensitive to changes
in temperature. High temperatures can accelerate the rate of catalyst deactivation;
on the other hand, there is normally a minimum temperature required for the reactor
to operate. When constraints on states and controls are present, in addition to robust
stability, it is necessary to ensure the constraint satisfaction under model parameter
uncertainty
Model Predictive Control is a class of model based controllers, which make explicit
use of a model of the process to obtain the control action by minimizing an objective
function (Camacho, 1999). It is a very well known approach for dealing with
parameter uncertainty and constraints. The objective function in MPC is a measure
of predicted performance of the system over prediction horizon. In other words, by
using a model of the process, MPC predicts the future behavior of the process and
determines the current control action. The control input is updated at every sampling
time (Rossiter, 2003). One of the major advantages of MPC is its ability to do on-
line constraint handling in a systematic way. Another advantage of MPC is that it
can be easily applied to multivariable systems (Camacho, 1999). Since the essence of
MPC is to optimize the prediction of the process behaviour based on a process model
over values for the manipulated variables, the model is a critical element of a MPC
controller (Rawlings, 2000).
Motivated by the fact that robustness of the controller and constraint handling
are very important aspects of controller design, this chapter goes beyond the infinite
36
dimensional LQ controller introduced in Chapter 2 with the objective of development
of a robust MPC controller, which is able to handle input and output constraints
under parameter uncertainty.
Unfortunately, model predictive control algorithms for distributed parameter
systems are relatively scarce. For Di↵usion reaction systems, which are described
by parabolic PDEs, Dubljevic et al. (2005) used modal decomposition to derive
finite-dimensional systems that capture the dominant dynamics of the original
PDE. The low dimensional model is subsequently used for controller design. For
convection dominated parabolic PDE modal decomposition methods result in high-
order finite dimensional systems. Model predictive control for high-order systems is
computational demanding and cannot be applied on-line.
For hyperbolic systems, the eigenvalues of the spatial di↵erential operator cluster
along vertical or nearly vertical asymptotes in the complex plane (Christofides, 2001),
and modal decomposition methods may not be used. Then, Dubljevic et al.(Dubljevic
et al., 2005) used finite di↵erence method to convert the hyperbolic equations to a
set of ODEs and Model Predictive Controller is designed for the resulting model.
As discussed previously, using discretization methods ignores the distributed nature
of the system and dynamics of the system may not be captured properly. One of
the features of hyperbolic systems is that any discontinuity in the initial or boundary
conditions can propagate and finite di↵erence or finite element algorithms may become
numerically unstable, and therefore are not suitable to use as a model for controller
design. Moreover, hyperbolic systems have finite impulse response (FIR) behavior
(Choi and Lee, 2005) and the discretization algorithms do not preserve this property.
The method of characteristic is a classical algorithm for solution of a hyperbolic
equation that can preserve the FIR property of the hyperbolic systems.
Characteristic-based model predictive control is an approach for model predictive
control of DPS that uses method of characteristics combined with model predictive
controller and is proposed by Shang et al. (2004). The characteristic-based MPC
allows controller design for linear, quasilinear, and nonlinear low dimensional PDEs.
37
In this method, partial di↵erential equations are transformed to a set of ordinary
di↵erential equations along characteristic curves, which exactly describe the original
DPS. Then the controller design can be performed on ODEs instead of PDEs without
approximation. Unfortunately, the model predictive control for hyperbolic systems
investigated by Shang et al. (2004) or Shang et al. (2007) did not consider constraints.
In this work the problem of characteristic-based robust constrained MPC of two
time-scale hyperbolic systems is studied. For designing the robust controller, the plant
is assumed to lie in a polytopic set resulting from possible parameter uncertainties.
The objective of robust control design is to ensure that some performance specification
is met by the designed controller, as long as the plant remains within the polytopic
set (Maciejowski (2002) and Kothare et al. (1996)).
In the original characteristic-based MPC proposed by Shang et al. (2004), the
system is realized as an input-output system. In this work, we have reformulated
the prediction method such that the resulting system is state space system that can
handle state constraints. It has been shown that the resulting state space system has
a certain structural features that can be exploited in the formulation of the robust
model predictive controller.
To formulate the robust MPC, we assume that the uncertainties are polytopic. The
robust model predictive controller is realized as a quadratic optimization problem. It
is assumed that the objective of robust controller is to ensure that the constraints
are satisfied as long as the plant lies inside the polytope. Therefore, the quadratic
objective function is defined based on the nominal model of the system. To ensure
constraint satisfaction under parameter uncertainty, the evolution of the constraints
over the prediction horizon under possible parameter uncertainties is used as the
constraint for the quadratic problem.
The case study considered in this chapter is the hydrotreating reactor introduced
in Chapter 2; however, in this chapter it is assumed that the rate of deactivation is
unknown and therefore the pre-exponential factor in the kinetic term is uncertain.
Another uncertainty arises from fluctuations in the inlet flowrate. The proposed
Sec. 3.1 Characteristics-Based MPC 38
robust constrained MPC is applied to the process and the closed loop performance is
analyzed.
The contributions of this chapter can be summarized as:
• State Space realization of two time-scale hyperbolic systems using the method
of characteristics;
• Formulation of stability guaranteed robust model predictive controller that
ensures constraint satisfaction under parameter uncertainty.
3.1 Characteristics-Based MPC
The method of characteristics is a technique for solving hyperbolic partial di↵erential
equations (Shang et al., 2004). The idea behind the method of characteristics is
that every hyperbolic PDE has a characteristic curve associated with it, along which
dynamics evolve, and as a result, the hyperbolic PDE can be represented as an
equivalent system of ODEs.
Consider a quasilinear system of first-order equations with two dependent variables
⌫1
, ⌫2
and two independent variables t and z.
@⌫1
@t+ a
1
@⌫1
@z= f
1
(⌫1
, ⌫2
, u)
@⌫2
@t+ a
2
@⌫2
@z= f
2
(⌫1
, ⌫2
, u) (3.1)
If coe�cients a1
6= a2
, the system has two di↵erent characteristics determined by:
Characteristic C1
:dz
dt= a
1
Characteristic C2
:dz
dt= a
2
(3.2)
along these characteristics dynamic of the system is described by the following set of
ODEs:
d⌫1
dt= f
1
(⌫1
, ⌫2
, u) along characteristic C1
d⌫2
dt= f
2
(⌫1
, ⌫2
, u) along characteristic C2
(3.3)
Sec. 3.1 Characteristics-Based MPC 39
Then, by using the method of characteristics, the set of partial di↵erential equations
(3.1) is transformed to a set of ODEs along the characteristic curves. This set of ODEs
can be used to predict the system’s evolution. The characteristic ODEs are coupled
with respect to the two characteristic curves, and the values of state variables at any
point in time and space should be determined by simultaneous integration of both
characteristic ODEs along two nonparallel characteristic curves passing through that
point. This can be used for evaluation of the future values of state variables. In Fig.
3.1 the calculation of the future output variables using the method of characteristics is
illustrated. This method for prediction of the future behaviour is proposed in (Shang
et al., 2004). The idea is that each point in space and time (e.g. P ) has a domain of
dependence. The domain of dependence for point P in Figure 3.1 is the area enclosed
by characteristic curves passing through point P. The solution at P depends on the
values of state variables within its domain of dependence. In other words, the solution
at P can be calculated by integration of characteristic equations along characteristic
curves P � Q and P � R. Values of state variables at Q and R are used as initial
conditions for integration. The mathematical description is
⌫1
(P ) =
Z t(P )
t(Q)
f1
(Q)dt (3.4)
⌫2
(P ) =
Z t(P )
t(R)
f2
(R)dt (3.5)
where:
t(P ) =a1
t(Q) � 2a2
t(Q) + a2
t(R) + Z(R) � Z(Q)
a1
� a2
(3.6)
The position of the point P is calculated by:
Z(P ) =a1
Z(R) � a2
Z(Q) + a1
a2
[t(R) � t(Q)]
a1
� a2
(3.7)
Sec. 3.1 Characteristics-Based MPC 40
Z (Space)
t (T
ime)
C1
C2
RQ
P
Figure 3.1: Calculation of the state variable along the characteristic curves
Space
Tim
e
3! t
3! t
2 31 4
1 2 3 4
1 2 3
431
4
2
! t! t2
! t1
Figure 3.2: Prediction of state variables for a1
/a2
= 0.4
Sec. 3.1 Characteristics-Based MPC 41
State Space Representation
In this chapter we are interested in robust model predictive control of linear systems,
therefore before attempting to derive the state space model of the system, assume
that the model equations (3.1) are linearized about the steady state profile of the
reactor. The linearized model can be represented by:
@⌫ 01
@t= �a
1
@⌫ 01
@z+M
11
(z)⌫ 01
+M12
(z)⌫ 02
+ B1
(z)u0
@⌫ 02
@t= �a
2
@⌫ 02
@z+M
21
(z)⌫ 01
+M22
(z)⌫ 02
+ B2
(z)u0 (3.8)
where 0 indicates that the variables are in deviation form.
The characteristic curves for the linearized model (3.8) are:
C1
=dz
dt= a
1
(3.9)
C2
=dz
dt= a
2
(3.10)
and the characteristic equations are:
d⌫ 01
dt= M
11
⌫ 01
+M12
⌫ 02
+ B1
u0 (3.11)
d⌫ 02
dt= M
21
⌫ 01
+M22
⌫ 02
+ B2
u0 (3.12)
Using the prediction method discussed in the previous section, values of ⌫ 01
and ⌫ 02
can be calculated along the length of the reactor. At any time t = tk, the length of the
reactor can be discretized using a finite number of discretization point. By defining
the values of ⌫1
and ⌫2
at discretization points as state variables, the set of PDEs can
be represented as a state space model. The idea is that at t = tk the measurements
of the state variables are available at the discretization points. These measurements
are used to determine the value of the state variables at the intersections of the
characteristic curves passing the initial discretization points. Using the approach
discussed in the previous section, the values of the state variables can be calculated
at the intersection points. A graphical representation of this method is shown in
Figures 3.2-3.4. The state vector is defined as:
Sec. 3.1 Characteristics-Based MPC 42
x =h⌫ 011
⌫ 012
· · · ⌫ 01N ⌫ 0
21
⌫ 022
· · · ⌫ 02N
iT
where N is the number of discretization points. The values of state variables at
time T = �t can be calculated using Equations (3.4)-(3.5). This procedure will be
repeated for T = 2�t, 3�t, . . . Since the positions of the intersection points change
at each sample time, the resulting state space model is a linear time-varying discrete
system represented by
xk+1
= Akxk +Buk (3.13)
yk = Ckxk (3.14)
The positions of the intersection points are functions of the ratio of slopes of two
characteristic curves, and therefore the structure of A depends on the ratio of two
slopes.
Example 3.1.1. As an example, we will explore the structure of matrix A for the
case that this ratio is equal to 0.4. In Figure 3.2, positions of the intersections are
illustrated at di↵erent sample times. If one repeats the integration procedure for six
sample times, it will be observed that the structure of the matrix A is repeated every
third sample time. The reason is that the positions of the intersection points also
change periodically with period of three sample times. The structure of the matrix
A is given by
A1
=
2
666666666666664
0 0 0 0 0 0 0 0
↵11
(1) 0 0 0 ↵12
(1) 0 0 0
0 ↵11
(2) 0 0 0 ↵12
(2) 0 0
0 0 ↵11
(3) 0 0 0 ↵12
(3) 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
↵21
(1) 0 0 0 ↵22
(1) 0 0 0
0 ↵21
(2) 0 0 0 ↵22
(2) 0 0
3
777777777777775
Sec. 3.1 Characteristics-Based MPC 43
A3
=
2
666666666666664
↵11
(1) 0 0 0 ↵12
(1) 0 0 0
0 ↵11
(2) 0 0 0 ↵12
(2) 0 0
0 0 ↵11
(3) 0 0 0 ↵12
(3) 0
0 0 0 ↵11
(4) 0 0 0 ↵12
(4)
0 0 0 0 0 0 0 0
↵21
(1) 0 0 0 ↵22
(1) 0 0 0
0 ↵21
(2) 0 0 0 ↵22
(2) 0 0
0 0 ↵21
(3) 0 0 0 ↵22
(3) 0
3
777777777777775
A2
= A1
and Ak =
8>>><
>>>:
A1
k = 3n+ 1
A2
k = 3n+ 2
A3
k = 3n
where ↵ij(l) is the result of the integration of the characteristic equations given by:
↵11
(l) =
Z tk
tk�1
M11
(l)dt
↵12
(l) =
Z tk
tk�1
M12
(l)dt
↵21
(l) =
Z tk
tk�1
M21
(l)dt
↵22
(l) =
Z tk
tk�1
M22
(l)dt
(3.15)
and l represents the spatial position of each discretization point.
The structure of the matrix B also depends on the ratio of two slopes and for the
Sec. 3.1 Characteristics-Based MPC 44
case of 0.4 is given by
B1
=
2
666666666666664
B1
(1)�t
B1
(2)�t
B1
(3)�t
B1
(4)�t
B2
(1) ⇥ (�t ��t2
)
B2
(2)�t
B2
(3)�t
B2
(4)�t
3
777777777777775
, B2
=
2
666666666666664
B1
(1) ⇥ (2�t ��t1
)
B1
(2)�t
B1
(3)�t
B1
(4)�t
B2
(1) ⇥ (2�t � 3�t2
)
B2
(2) ⇥ (2�t � 2�t2
)
B2
(3)�t
B2
(4)�t
3
777777777777775
B3
=
2
666666666666664
B1
(1)�t
B1
(2)�t
B1
(3)�t
B1
(4)�t
B2
(1) ⇥ (3�t � 4�t2
)
B2
(2)�t
B2
(3)�t
B2
(4)�t
3
777777777777775
, Bk =
8>>><
>>>:
B1
k = 3n+ 1
B2
k = 3n+ 2
B3
k = 3n
(3.16)
Matrix C depends on the available measurements. Assuming that the only output
variable is the value of ⌫1
at z = l, output matrix C will be:
C1
=h0 0 0 1 +M
11
(4) ⇥ (�t1
��t) 0 0 0 M12
(4) ⇥ (�t1
��t)i
C2
= [], C3
=h0 0 0 1 0 0 0 0
i
Ck =
8>>><
>>>:
C1
k = 3n+ 1
C2
k = 3n+ 2
C3
k = 3n
(3.17)
⇤
As mentioned, the position of the intersection points, and therefore the structure
of the state space system, is a function of the ratio of the slopes of two characteristic
curves. In Figures 3.3-3.4, the intersection points are illustrated for the cases that
the ratio is equal to 0.5 and 0.6, respectively. It can be observed that for the first
Sec. 3.1 Characteristics-Based MPC 45
case, the position of intersection points are constant. Therefore, this case will result
in a linear time-invariant state space system. In the second case, the period is equal
to two, which means that the resulting state space system will have a period of two
sample times.
Space
Tim
e
Space
Tim
e
! t
! t
1 2 3 4
4321
1 2 3 4
Figure 3.3: Prediction of state variables for a1
/a2
= 0.5
In order to use common MPC algorithms, the periodic system should be converted
to a linear time-invariant system. If the period of the system is N , this can be done
by assembling N sample times to one larger sample time and defining a new state
space system with larger sample time. For the case that the period is equal to 3, the
system can be converted to a linear time-invariant system by defining
A = A3
A2
A1
(3.18)
B =hA
3
A2
B1
A3
B2
B3
i(3.19)
C = [C1
, C2
A1
, C3
A2
A1
]T (3.20)
Finally, the LTI representation suitable for the design of MPC controller is given as:
xk+1
= Axk + Buk, (3.21)
yk = Cxk,
Sec. 3.2 Robust Characteristic-Based MPC 46
Space
Tim
e
Space
Tim
e
2! t
2! t
! t
1 2 3 4
4321
1 2 3 4
Figure 3.4: Prediction of state variables for a1
/a2
= 0.6
Now that we successfully derived a linear time-invariant state space system, we can
proceed with designing a robust model predictive controller that will be addressed in
the next section.
3.2 Robust Characteristic-Based MPC
In order to include the parametric uncertainty of the plant, it is assumed that the
small variations in the uncertain parameters of the system generate a family of the
linear systems given by Equation (3.21). It is assumed that the set of uncertain models
generated by the uncertain parameters, [Ai Bi] build a polytopic set ⌦{[Ai Bi]}and the real model of the system lies within or on the convex hull of the polytopic
set. Thus the system can be described by a polytopic uncertain system. Polytope ⌦
is defined by
⌦ = Co{[A1
B1
], [A2
B2
], · · · , [AL BL]} (3.22)
So if [A, B] 2 ⌦ then, for some nonnegative �1
,�2
, · · · ,�L summing to one, we
Sec. 3.2 Robust Characteristic-Based MPC 47
have
[A B] =LX
i=1
�i[Ai Bi]
which means that there is a convex hull of uncertain plants, which is generated by
considering all possible combinations of uncertain parameters.
In this work the model predictive control algorithm proposed by Muske and
Rawlings (1993) is modified to consider parameter uncertainty. It is assumed that
the objective of the robust controller is only to ensure constraint satisfaction under
any possible parameter uncertainty. Hence, the quadratic performance index is
constructed based on the nominal model of the system, while the construction of
the constraints captures the dynamics of all possible parametric uncertain models.
Matrix A in Equation (3.21) is a nilpotent matrix, which implies that the system
has an FIR property. This FIR property is a natural feature of co-current hyperbolic
systems and implies that the system is always stable and all eigenvalues of A are inside
the unit circle. In the case of a tubular reactor, the reason for the FIR property is
that each species is processed in a limited time in the reactor and leaves out of the
reactor in finite time. Therefore, an impulse change in reactor input will propagate
only for finite time.
For stable systems, Muske and Rawlings (1993) proposed the following stability
guaranteed MPC formulation for a LTI state space systemP
(A,B,C) at time k
minuN
yTk+NQyk+N +N�1X
j=0
(yTk+jQyk+j + uTk+jRuk+j +�uT
k+jS�uk+j) (3.23)
Subject to:
x(k + 1) = Ax(k) + Bu(k) (3.24)
y(k) = Cx(k) (3.25)
umin uk+j umax, j = 0, 1, . . . , N � 1 (3.26)
ymin yk+j ymax, j = 0, 1, . . . , N � 1 (3.27)
�umin �uk+j �umax, j = 0, 1, . . . , N � 1 (3.28)
Sec. 3.2 Robust Characteristic-Based MPC 48
In the cost function (3.23), Q is the weighting on the final value of the state
variables. In order to ensure the stability of the closed loop system, Q should be the
solution of the following Lyapunov equation (Muske and Rawlings, 1993)
Q = CTQC + AT QA (3.29)
Since we are interested in the robust constraint satisfaction, the objective function
used in this work is similar to Equation (3.23), but the constraints should change to
consider all the possible realizations of the system. The constraints that should be
included in the MPC problem are
x(k + 1) = Aix(k) + Biu(k) (3.30)
y(k) = Cix(k) i = 1, 2, ..., L (3.31)
umin uk+j umax, j=0,1,...,N�1
(3.32)
ymin yk+j ymax, j = 0, 1, . . . , N � 1 (3.33)
�umin �uk+j �umax, j = 0, 1, . . . , N � 1 (3.34)
The MPC problem can be converted to the following convex quadratic problem that
can be solved by any quadratic programming algorithm (Muske and Rawlings, 1993).
minuN�k = (uN)THuN + 2(uN)T (Gxk � Fuk�1
) (3.35)
Subject to:2
66666666666666666666666664
I
�I
A1
A2
...
AL
�A1
�A2
...
�AL
W
�W
3
77777777777777777777777775
uN
2
66666666666666666666666664
i1
i2
B1
B2
...
BL
D1
D2
...
DL
w1
w2
3
77777777777777777777777775
Sec. 3.2 Robust Characteristic-Based MPC 49
Matrices, H,G and F are calculated by determining the prediction of the output
variable as a function of the input variable and are given by
H =
2
66664
BT QB +R + 2S BTAT QB � S · · · BTATN�1QB
BT QAB � S BT QB +R + 2S · · · BTATN�2QB
......
. . . · · ·BT QAN�1B BT QAN�2B · · · BT QB +R + 2S
3
77775(3.36)
G =
2
66664
BT QA
BT QA2
...
BT QAN
3
77775, F =
2
66664
S
0...
0
3
77775(3.37)
Matrices Ai,W, i1
, i2
,Bi are defined to consider the constraints over the prediction
horizon and under possible realizations of the system and are defined as
Ai =
2
66666664
CiBi 0 0 0
CiAiBi CiBi 0 0
CiA2
iBi CiAiBi CiBi 0...
......
...
CiAN�1
i Bi CiAN�2
i Bi CiAiiN�3Bi CiBi
3
77777775
, i = 1, . . . , L (3.38)
Bi =
2
66666664
ymax � CiAi
ymax � CiA2
i
ymax � CiA3
i...
ymax � CiANi
3
77777775
, Di =
2
66666664
�ymin + CiAi
�ymin + CiA2
i
�ymin + CiA3
i...
�ymin + CiANi
3
77777775
(3.39)
W =
2
66666664
1 0 0 0
�1 1 · · · 0...
. . . . . ....
0 · · · �1 1
0 0 0 �1
3
77777775
(3.40)
w1
=
2
6666664
�umax + uk�1
�umax
�umax
�umax
�umax
3
7777775, w
1
=
2
6666664
�umin � uk�1
�umin
�umin
�umin
�umin
3
7777775(3.41)
Sec. 3.3 Case Study 50
The resulting quadratic problem can be solved with any quadratic programming
algorithm, and as long as the real plant lies inside the polytope (3.22) the formulated
MPC is able to handle constraints.
3.3 Case Study
In this section, the proposed characteristic based MPC is applied to the hydrotreating
reactor that was introduced in Chapter 2, and its closed loop performance is analyzed.
The objective is to control the reactor’s outlet temperature at a specified setpoint by
manipulating the superficial velocity of the reactor. It is assumed that the parameters
k and vss are uncertain variables. Therefore, the linearized real model of the system
lies in the convex hull of a polytopic set with four vertices. It is assumed that the pre-
exponential factor, k, can have 40% uncertainty and vss can have 20% uncertainty.
It is also assumed that the manipulating and output variables have lower and upper
constraints that shall not be violated.
The state space model that is used for formulating the controller is constructed
using the proposed method in §3.1. In order to develop the model for controller
formulation, 20 discretization points are used. For simulation of the real plant 60
discretization points are used to construct the model and the controller is applied to
this model.
The prediction horizon is assumed to be 20 sample times. It should be mentioned
that the resulting state space system is a FIR system, so increasing the prediction
horizon to more than resident time of the reactor will not improve the performance
of the controller.
To evaluate the closed loop performance of the controller, it is assumed that the
system is not initially at steady state and the initial temperature and concentrations
are: T0
= 0.95Tin, CA0 = CAin . A random model which lies inside the polytopic set
is chosen as the real model of the system. Numerical simulations are performed to
evaluate the performance of the controller. To solve the quadratic problem, Matlab’s
quadratic programming tool is used.
Sec. 3.3 Case Study 51
Figures 3.5 and 3.6 illustrate the profiles of the reactor temperature and
concentration respectively. Figure 3.7 shows the profile of the manipulated variable
and Figure 3.8 is the trajectory of the control variable.
As Figures 3.7-3.8 show the constraints on input and output trajectories are
satisfied even if the real model of the system is not one of the models considered
during the controller formulation.
Note that the chosen initial and boundary conditions have discontinuity (See
Figures 3.5 and 3.6), however, the proposed proposed algorithm is numerically stable
and the discontinuity only propagates along the characteristic curve.
0
50
100
0
0.05
0.1
0.15400
500
600
700
Time (min)Space (m)
Te
mp
era
ture
(K
)
Figure 3.5: Temperature trajectory under the robust controller
Sec. 3.4 Summary 52
0
50
100
0
0.05
0.1
0.15
0
0.2
0.4
0.6
0.8
Time (min)Space (m)
Co
nc
en
tra
tio
n (
mo
l /
m3)
Figure 3.6: Concentration trajectory under the robust controller
3.4 Summary
In this chapter a characteristic based robust model predictive control algorithm
was developed for systems modelled by two time-scale coupled hyperbolic partial
di↵erential equations. The set of partial di↵erential equations was transformed to
a set of ODEs using the method of characteristics. In order to construct the state
space model of the system, the spatial domain was discretized to a finite number
of intervals. The structure of the resulting state space model was explored. It was
shown that the resulting state space system has certain periodic features depending
on the ratio of slopes of two characteristic curves. It was also shown that the proposed
method preserved the finite impulse response property of the co-current hyperbolic
system. This ensures that the dynamics of the system is captured properly, unlike
other discretization algorithms that cannot preserve this property and may result in
Sec. 3.4 Summary 53
0 20 40 60 80 100 120
0.8
1
1.2
1.4
1.6
1.8
2
2.2
2.4
2.6
Time (min)
u /
uss
Figure 3.7: Input trajectory under the robust controller
numerical instability of the model if any discontinuity exists.
In order to deal with parameter uncertainty, it was assumed that the uncertain
models of the system generate a polytopic set and the real model of the system lies
in the polytope ⌦. The MPC problem was defined by nominal performance index,
but the evolution of the constraints over the prediction horizon was considered for
all polytopic models. This formulation of robust controller ensures that constraints
are satisfied as long as the real model of the plant lies inside the polytope; however,
the performance of the controller may deteriorate as only the nominal model on the
system is considered in the performance index.
A case study involving a hydrotreating reactor was used to evaluate the closed loop
response of the controller. In this case study two uncertain parameters existed which
lead to four polytopic models. Simulation results indicated that this algorithm is able
to satisfy input and output constraints under parameter uncertainty.
Sec. 3.4 Summary 54
0 20 40 60 80 100 120300
350
400
450
500
550
600
650
700
750
Time (min)
Ou
tle
t te
mp
era
ture
(K
)
Figure 3.8: Output trajectory under the robust controller
4LQ Control of
Di↵usion-Convection-Reaction Systems
This chapter addresses the optimal control of fixed-bed reactors modelled by a
set of coupled parabolic PDEs. This chapter takes the first step in solution of
the optimal control problem for coupled parabolic PDE-ODE systems, which can
represent fixed-bed reactors with catalyst deactivation modelled by a set of ODEs.
In this chapter an innovative approach is proposed to solve the eigenvalue problem
for a set of coupled parabolic PDEs with spatially varying coe�cients. This class
of parabolic PDEs is the result of linearization of the nonlinear model of the system
around the steady state profile of the system. Using the spectral properties of the
system stability of the system is studied and the optimal control problem is solved1.
1Portions of this chapter have been published in “Mohammadi, L., I. Aksikas, S. Dubljevic and
J. F. Forbes (2012a). LQ-boundary control of a di↵usion-convection-reaction system. International
Journal of Control 85, 171-181” and “Mohammadi, L., I. Aksikas, S. Dubljevic and J. F. Forbes
(2011), Linear Quadratic Optimal Boundary Control of a Di↵usion-Convection-Reaction System.
Proceedings of the 18th IFAC World Conference”
55
56
The focus of the previous two chapters was on the optimal control of systems
modelled by a set of hyperbolic PDEs (i.e. catalytic reactors with negligible di↵usion).
In the real world, pure hyperbolic systems are rare. Normally, hyperbolic equations
result from ignoring the e↵ect of di↵usion phenomenon within the system. In most
chemical engineering processes, more specifically in most fixed-bed reactors, di↵usion
may not be ignored and as a result, the model of the system should be represented
by a set of parabolic PDEs.
Motivated by this, the current chapter focuses on the infinite dimensional control
of systems described by a set of parabolic PDEs, which can be used to represent a
fixed-bed reactor with both di↵usion and convection phenomena. The only di↵erence
between a first order hyperbolic PDE and a parabolic PDE is presence of the
second order derivative with respect to the space variable. This di↵erence results
in completely di↵erent dynamical behaviour and mathematical properties. Unlike
hyperbolic systems, for parabolic systems the operator Riccati equation cannot be
converted to a matrix Riccati equation. Therefore, we need an alternative method to
solve the operator Riccati equation. Parabolic systems can be characterized by their
set of eigenvalues and eigenfunctions. The spectral property of these systems is the
tool that is generally used to deal with parabolic systems.
Chemical processes are normally modelled by a set of nonlinear equations and in
order to apply linear controllers, one needs to linearize the system of equations around
the steady state profile of the system. By linearizing the nonlinear equations about the
steady state profile of the system, a set of linear parabolic PDEs with spatially varying
coe�cients is produced. Solution of the eigenvalue problem for a single parabolic
PDE with constant coe�cients is very well known in the mathematical literature, but
there is no general algorithm to solve the eigenvalue problem for a parabolic PDE
with spatially varying coe�cients. In this work, an innovative idea is proposed to
solve the eigenvalue problem of parabolic PDEs with spatially varying coe�cients.
The proposed approach uses the techniques for the solution of the heat equation for
composite media.
57
Control of di↵usion-reaction systems, which are described by parabolic PDEs has
studied by many researchers (e.g., Christofides (2001), Dubljevic et al. (2005) and
and references therein). In these works, modal decomposition is used to derive finite-
dimensional system that captures the dominant dynamics of the original PDE and
is subsequently used for low dimensional model predictive controller design. The
potential drawback of this approach is that for di↵usion-convection-reaction systems
the number of modes that should be used to derive the ODE system may be very large,
which leads to computationally demanding controllers. Additionally, the control
problem for coupled parabolic systems has not been addressed in these studies.
Boundary control of parabolic systems have been explored in few studies. Curtain
and Zwart (1995) and Emirsjlow and Townley (2000) introduced transformation of
the boundary control problem to a well-posed abstract control problem using an exact
transformation. Recently, Byrnes et al. (2006) studied the boundary feedback control
of parabolic systems using zero dynamics. The proposed algorithm is limited to
parabolic systems with self-adjoint operator A, therefore cannot be used for chemical
reactors that are modelled by multiple PDEs with non-symmetric coupling. Moreover,
the proposed controller is not optimal and may result in aggressive control actions.
Model predictive boundary control of parabolic systems is studied by Dubljevic and
Christofides (2006). This work uses the exact transformation introduced by Curtain
and Zwart (1995) along with modal decomposition to solve the boundary control
problem for a parabolic PDE, but it is also limited to systems described by a single
parabolic PDE. To the best of the author’s knowledge, there is no detailed study that
addresses optimal boundary control of spatially varying coupled parabolic PDEs in
general.
In this chapter, we are interested in the boundary control of systems modelled
by coupled parabolic PDEs with spatially varying coe�cients. The boundary
control problem is transformed into a well-posed abstract boundary control problem
by applying an exact transformation similar to the transformation introduced by
(Curtain and Zwart, 1995). The stabilizability of the resulting systems is also
Sec. 4.1 Parabolic DPS: Background 58
investigated. Stability of linear parabolic systems with constant coe�cients is studied
by Winkin et al. (2000), Delattre et al. (2003) for the special case of a tubular reactor
with two state variables. In this chapter, we extend this work for the more general
case of coupled parabolic systems with spatially varying coe�cients and arbitrary
number of state variables. Finally, by using the spectral properties of the system, the
operator Riccati equation is converted into a set of coupled algebraic equations, which
can be solved numerically. In this work, our focus is on parabolic systems defined on
one-dimensional spatial domain, but the approach can easily be extended to a more
general form of parabolic systems with 2D or 3D spatial domain.
The majority of the previous work on infinite dimensional systems modelled by
parabolic PDEs concentrated on cases that are described by a single spatially invariant
parabolic PDE. This work is a first step in investigation of the control techniques for
systems that are described by a set of PDEs with spatially varying coe�cients, which
would model many chemical engineering processes. A case study involving a tubular
reactor, wherein the catalytic cracking of gas oil takes place is used to illustrate our
method.
The main contributions of this chapter can be summarized as:
• Solution of eigenvalue problem for a set of coupled parabolic PDEs with spatially
varying coe�cients;
• Formulation and solution of an optimal boundary control problem for systems
modelled by a set of coupled parabolic PDEs;
• Stability analysis of coupled parabolic systems.
4.1 Parabolic DPS: Background
In this section, we will provide some background for infinite dimensional
representation of parabolic partial di↵erential equations. The introduced concepts
will be used throughout this chapter to formulate the infinite dimensional controller
and analyze the stabilizabily of the parabolic systems. We will use the following heat
Sec. 4.1 Parabolic DPS: Background 59
equation for illustration
@x
@t(x, t) =
@2x
@z2(x, t), x(z, t) = x
0
(z)
@x
@z(0, t) = 0
@x
@z(1, t) = 0
(4.1)
By introducing X = L2
(0, 1) as the state space and x(., t) = {x(z, t), 0 z 1}as the state variable, and the operator A
Ah =d2h
dz2with
D(A) = {h 2 L2
(0, 1)|h, dhdx
are absolutely continuous,
d2h
dz22 L
2
(0, 1) anddh
dz(0) =
dh
dz(1) = 0}
(4.2)
the abstract formulation of (4.1) can be written as
x(t) = Ax(t)
x(0) = x0
(4.3)
The solution of the above problem is given by
x(z, t) = hx0
, 1i +1X
n=1
2e�n2⇡2thx0
(.), cos(n⇡.)i cos(n⇡.) (4.4)
In (4.4), �n2⇡2, n = 1, · · · ,1 are eigenvalues of the operator A and cos(n⇡z), n =
1, · · · ,1 are the associated eigenfunctions. In general, eigenfunctions and eigenvalues
of an operator A are found by solving the following eigenvalue problem
AV = �V (4.5)
where � and V are the eigenvalues and corresponding eigenfunctions of the operator
A.
By defining the following operator
T (t)x0
(z) = hx0
(z), 1i +1X
n=1
2e�n2⇡2thx0
(z), cos(n⇡z)i cos(n⇡z) (4.6)
Sec. 4.1 Parabolic DPS: Background 60
the abstract formulation of (4.4) can be written as
x(t) = T (t)x0
(4.7)
T (t), maps the initial condition x0
to the state of the dynamical system x at time t,
and is the generalization of eAt in finite dimensional systems.
The operator A is an example of Riesz-Spectral operators. In the following,
definitions of Riesz- Spectral operator, Resolvent Set and a special case of Riesz-
Spectral operators (i.e. Sturm-Liouville Operator ) will be provided.
Definition 4.1.1. (Curtain and Zwart, 1995) A sequence of vectors {�n, n � 1} in a
Hilbert space Z forms a Riesz basis for Z if the following conditions hold:
(a) span{�n} = Z;
(b) There exist positive constants m and M such that for arbitrary N 2 N and
arbitrary scalars ↵n, n = 1, · · · , N such that
mNX
n=1
|↵n|2 kNX
n=1
↵n�nk2 MNX
n=1
|↵n|2 (4.8)
Definition 4.1.2. (Guo and Zwart, 2001) Operator A is a Riesz-Spectral operator if
the following conditions hold:
(a) A is closed.
(b) Its eigenvalues are isolated and have finite multiplicity.
(c) The corresponding eigenvectors {�n, n � 1} form a Riesz basis in Z.
(d) The closure of {�n, n � 1} is totally disconnected.
Definition 4.1.3. (Curtain and Zwart, 1995) Let A be a closed linear operator on a
normed linear space X. We say that � is in the resolvent set ⇢(A) of A, if (�I �A)�1
exists and is a bounded linear operator on a dense domain of X. (�I �A)�1 is called
the Resolvent of A.
Sec. 4.1 Parabolic DPS: Background 61
Theorem 4.1.1. (Curtain and Zwart, 1995) Suppose that A is a Riesz-spectral
operator with distinct eigenvalues {�n, n � 1} and corresponding eigenvectors
{�n, n � 1}. Also assume that { n, n � 1} are the eigenvectors of A⇤ such that
h�n, ni = �nm. Then A satisfies:
a. ⇢(A) = {� 2 C| infn�1
|�� �n| � 0}, and for � 2 ⇢(A), (�I � A)�1 is given by
(�I � A)�1 =1X
n=1
1
�� �nh., ni�n (4.9)
b. A has the representation
Az =1X
n=1
�nhz, ni�n, z 2 D(A) (4.10)
c. A is the infinitesimal generator of a C0
-semigroup if and only if supn�1
Re(�n) < 1and T (t) is given by
T (t) =1X
n=1
e�nth., ni�n (4.11)
d. The growth bound of the semigroup is given by
!0
= inft>0
✓1
2log(kT (t)k
◆= sup
n�1
Re(�n) (4.12)
Definition 4.1.4. (Winkin et al., 2000) Consider the operator A defined on the
domain
D(A) = {f 2 L2(a, b) : f,df
dzabsolutely continuous,
d2f
dz22 L2(a, b), and ↵a
df
dz(a) + �af(a) = 0,↵b
df
dz(b) + �bf(b) = 0}
(4.13)
where a and b are real numbers, (↵a, �a) 6= (0, 0) and (↵b, �b) 6= (0, 0). A is said to
be a Sturm-Liouville operator if
8f 2 D(A),Af =1
⇢(z)
✓d
dz
✓�p(z)
df
dz(z)
◆+ q(z)f(z)
◆(4.14)
Definition 4.1.5. (Winkin et al., 2000) A linear state space systemP
(A,B,C,D)
is called a Sturm-Liouville system, if and only if �A is a Sturm-Liouville operator.
Sec. 4.2 LQ Control of Parabolic DPS 62
4.2 LQ Control of Parabolic DPS
As mentioned in Chapter 2, LQ control is a well-known optimal control algorithm for
linear state space systems of the form
x = Ax+Bu
y = Cx(4.15)
and assumes a performance metric of the form
J(x0
, u) =
Z 1
0
hy(s), y(s)i + hu(s), Ru(s)ids (4.16)
where u(s) and y(s) are the input and output trajectories, respectively, and R is a
self-adjoint, coercive operator in L(U). In order to formulate the LQ optimal control
problem for a parabolic system, the model of the systems should be formulated
as (4.15). In the following, the formulation of the parabolic PDEs as an infinite
dimensional state space system represented by (4.15) will be discussed. As discussed
before, we will assume that the nonlinear model of the system is linearized around
the steady space profile of the system. Therefore, the coe�cients of the reactive term
are spatially varying.
Consider a system described by a set of linear parabolic PDEs in one spatial
dimension:@✓
@t= D
@2✓
@z2� V
@✓
@z+N(z)✓ (4.17)
with the following boundary and initial conditions
D@✓
@z|z=0
= V(✓z=0
� ✓in)
@✓
@z|z=l = 0
✓(z, 0) = ✓0
(4.18)
where ✓(., t) = [✓1
(., t), · · · , ✓n(., t)]T 2 H := L2(0, l)n denotes the vector of state
variables, z 2 [0, l] 2 R and t 2 [0,1) denote position and time, respectively. D,V,N
are matrices of appropriate sizes, whose entries are functions in L1([0, l]⇥ [0,1)). D
Sec. 4.2 LQ Control of Parabolic DPS 63
and V are constant diagonal matrices and N is a spatially varying triangular matrix.
We also assume that the ✓in is the manipulated variable.
The system of equations (4.18) is non-self adjoint in general. In order to simplify
the controller synthesis, the system of equations (4.18) can be converted to a self-
adjoint di↵usion-reaction system by the following transformation:
x = T✓ = exp(�D�1V
2z)✓ (4.19)
The resulting system is
@x
@t=D
@2x
@z2+ (TN(z)T�1 � VD�1V
4)x
D@x
@z|z=0
=V
2x|z=0
� V ✓in
D@x
@z|z=l =
V
2x|z=l
x(z, 0) = T�1✓(z, 0)
(4.20)
The above transformation can be performed for any set of parabolic PDEs.
Therefore, without loss of generality we assume that for the rest of this work the
model of the system can be described by the following set of parabolic PDEs.
@x
@t= D
@2x
@z2+M(z)x
D@x
@z|z=0
=V
2x|z=0
� u
D@x
@z|z=l =
V
2x|z=l
x(z, 0) = x0
(z)
(4.21)
The system of equations (4.21) can be formulated as an abstract boundary control
problem on the Hilbert space H := L2(0, l)n (Curtain and Zwart, 1995).8>>>>>><
>>>>>>:
dx(t)dt
= Ax(t),
x(0) = x0
Bx(t) = u(t)
y(t) = Cx(t)
(4.22)
Sec. 4.2 LQ Control of Parabolic DPS 64
Where A is a linear operator on the domain:
D(A) = {x 2 H : x anddx
dzare a.c. ,
d2x
dz22 H,D
@x
@z|z=l =
V
2x|z=l} (4.23)
(where a.c. means that x is absolutely continuous) and is defined by
A = Dd2.
dz2+M(z).I (4.24)
B : H ! R is the boundary operator with the domain
D(B) = {x 2 H : x is a.c. ,dx
dz2 H} (4.25)
and defined by
Bx(.) = �Ddx(.)
dz|z=0
+V
2x(.)|z=0
(4.26)
and the output operator, C, is defined by the available measurement.
The infinite dimensional system described by (4.22), is not a well-posed infinite
dimensional system. In order to convert this system into a well-posed system with
bounded input and output operators, the boundary condition of the system should
be converted to a homogeneous boundary condition and the input variable u should
appear in the dynamical equation of the system similar to system (4.15) . In order to
reformulate it to a well-posed abstract Cauchy problem, a new operator A is defined
by:
Ax = Ax
D(A) = D(A) \ ker(B)
= {x 2 H : x anddx
dzare a.c. ,
d2x
dz22 H
and D@x(0, t)
@z� V
2x(0, t) = 0, D
@x(l, t)
@z� V
2x(l, t) = 0}
(4.27)
Let us assume that A is the infinitesimal generator of a C0
-semigroup on H and
there exist a B such that for all u, Bu 2 D(A), and the following holds:
BBu = u, u 2 U (4.28)
Sec. 4.2 LQ Control of Parabolic DPS 65
In other words, B should satisfy the following conditions:
�DdB(0)
dz+
V
2B(0) = 1 (4.29a)
D@B(l)
@z=
V
2B(l) (4.29b)
Condition (4.29a) is equivalent to (4.28) and the condition (4.29b) is from the
assumption that Bu 2 D(A). B can be any arbitrary function that satisfies these
conditions.
By defining a new input u(t) = u(t) and a new state xe(t) =hu(t) x(t) � Bu(t)
i0, the problem can be reformulated on the extended state space
He = H � U as (Curtain and Zwart, 1995):
xe(t) = Aexe(t) + Beu(t)
ye = Cexe(4.30)
where
Ae =
"0 0
AB A
#, Be =
"I
�B
#, Ce = C
hB I
i(4.31)
The infinite dimensional system (4.30) is a well-posed system with bounded input and
output operators, which is an exact representation of the original infinite dimensional
system (4.18). Therefore, one can design the LQ controller for the well-posed system
and apply it to the original system without any approximation. Additionally, the
dynamical properties of the extended system are similar to the dynamical properties
of the original system. Hence, it is su�cient to study the dynamical properties of the
extended system.
Optimal Control Design
In this section, a linear-quadratic optimal controller is formulated for a system
described by (4.30). The state-feedback controller assumes that full state
measurement is available. The existence of the solution for the LQ control problem
Sec. 4.2 LQ Control of Parabolic DPS 66
requires that the linear system is exponentially stabilizable and detectable. These two
properties will be investigated and in the following sections it will be proven that the
infinite dimensional system (4.30) is a Riesz-Spectral system. In this section, we will
use the spectral properties of Riesz-Spectral systems to solve the LQ control problem.
The linear quadratic control problem on an inifinite-time horizon employs the cost
function:
J(x0
, u) =
Z 1
0
hy(s), y(s)i + hu(s), Ru(s)ids (4.32)
where u(s) and y(s) are the input and output trajectories, respectively, and R is a
self-adjoint, coercive operator in L(U). The output function y(·) is given by Equation
(4.30).
It is well-known that the solution of this optimal control problem can be obtained
by solving the following algebraic Riccati equation (ARE) (Curtain and Zwart, 1995):
hAex1
,⇧x2
i + h⇧x1
, Aex2
i + hCex1
, Cex2
i � hBe⇤⇧x1
, R�1Be⇤⇧x2
i = 0 (4.33)
When (Ae, Be) is exponentially stabilizable and (Ce, Ae) is exponentially detectable,
the algebraic Riccati equation (4.33) has a unique nonnegative self-adjoint solution
⇧ 2 L(H) and for any initial state x0
2 H the quadratic cost (4.32) is minimized by
the unique control uopt given by:
uopt(s; x0
) = �R�1Be⇤⇧xopt(s), xopt(s) = T�BeR�1Be⇤⇧
(s)x(0) (4.34)
In addition, the optimal cost is given by J(x0
, uopt) = hx0
,⇧x0
i.The ARE (4.33) is valid for any infinite dimensional system, but depending on the
characteristics of the infinite dimensional system di↵erent approaches are needed to
solve it. For Riesz spectral systems, the spectral properties of the system can be used
to solve the ARE (4.33). Let us denote by �n, the normalized eigenfunctions of Ae.
If we take z1
= �m and z2
= �n, then the Riccati equation (4.33) becomes:
hAe�n,⇧�mi + h⇧�n, Ae�mi + hCe�n, C
e�mi � hBe⇤⇧�n, R�1Be⇤⇧�mi = 0 (4.35)
If we assume that the solution ⇧ has the form ⇧z =P
n,m⇧nmhz, mi n where
⇧nm = h�n,⇧�mi, then Equation (4.35) becomes the system of infinite number of
Sec. 4.2 LQ Control of Parabolic DPS 67
coupled scalar equations:
(�n + �m)⇧nm + Cnm �1X
k=0
1X
l=0
⇧nk⇧lmBnm = 0 (4.36)
where Cnm = hCe�n, Ce�mi, and Bnm = hR�1Be n, B
e mi.Using the spectral properties of the Riesz Spectral systems, the operator Riccati
equation (4.33) is converted to a set of coupled algebraic equations that can be
solved by any numerical algorithm. Then the main step to solve the optimal control
problem for these systems is to calculate the spectrum of the operator Ae. This can
be performed by solving the eigenvalue problem for the operator Ae. In the following
section, the solution of the eigenvalue problem for system of Equation (4.30) will be
studied.
4.2.1 Eigenvalue Problem
This section is devoted to solving the eigenvalue problem of an infinite dimensional
system given by equation (4.30). The analytical solution of the eigenvalue problem for
a general form of the operator Ae is not possible. In this work, it is assumed that the
matrix M(z) of the operator A has a triangular form. This assumption is true if there
is only one way coupling between state variables. For example, in the case of systems
with two state variables x1
and x2
, the one way coupling means that x1
is a function of
x2
, but x2
is independent of x1
. For most chemical engineering processes the operator
Ae can be converted to a triangularized form using a transformation. Also, without
loss of generality, the eigenvalue problem is solved for a case with two state variables.
The extension of solution for more than two state variables is straightforward. The
eigenvalue problem of interest will be:
Ae� = �� (4.37)
where Ae has the following form:
Ae =
"0 0
AB A
#(4.38)
Sec. 4.2 LQ Control of Parabolic DPS 68
and
A =
"A
11
0
A12
A22
#=
"D
11
d2.dz2
+M11
(.) 0
M21
(.) D22
d2.dz2
+M22
(.)
#(4.39)
Eigenvalues and eigenfunctions of A11
and A22
A11
and A22
are both self-adjoint Sturm-Liouville operators. Assuming that the
operators A11
and A22
were Sturm-Liouville operators with constant coe�cients of
the form
@#
@t= D
@2#
@2z+M#
D@#(0, t)
@z=
V
2#
D@#(L, t)
@z= �V
2#(L, t)
(4.40)
their eigenvalues would be given by:
µ2
n = D!2
n +M (4.41)
where !n is the solution to the following equation:
tan(!l) =4D!V
4D2!2 � V 2
(4.42)
and the corresponding eigenfunctions are given by:
n = cos(!nz) +V
2D!n
sin(!nz) (4.43)
Recall that the linearization of nonlinear equations around the steady state profile
results in equations with spatially varying coe�cients. Therefore, calculation of
the spectrum of the operator Aii is a challenging issue. In this work, the method
of solving the heat equation for composite media (Friedman, 1976) is adopted to
solve the eigenvalue problem for a Sturm-Liouville operator with spatially varying
coe�cients. In this approach, the length of the reactor is divided into a finite number
of segments. It is assumed that within each segment, the values of coe�cients
are constant. Figure 4.1 illustrates the discretization method. The mathematical
formulation of this approach can be given as (de. Monte, 2002):
Sec. 4.2 LQ Control of Parabolic DPS 69
···
0
1
N···
i � 1
i
i + 1
N � 1
D��1(0, t)
�z= h1�1(0, t)
�i�1(zi, t) = �i(zi, t)✓��i�1
�z
◆
xi
=
✓��i
�z
◆
xi
D��N (L, t)
�z= �hN�N (L, t)
Figure 4.1: Approximation of the reactor as a composite media
@#i
@t= D
@2#i
@2z+ ki#i, #i = x
1
(z), z 2 [zi�1
, zi], i = 1, · · · , N (4.44)
The boundary condition at z = 0 is:
D@#
1
(0, t)
@z= h
1
#1
(0, t), h1
=v
2(4.45)
The continuity boundary conditions are:
#i�1
(zi, t) = #i(zi, t) (i = 2, 3, · · · , N) (4.46)✓@#i�1
@z
◆
xi
=
✓@#i
@z
◆
xi
(i = 2, 3, · · · , N) (4.47)
The boundary condition at x = L is:
D@#N(L, t)
@z= �hN#N(L, t), hN =
v
2(4.48)
The continuity conditions at the boundary imply that, at the interfaces of the
segments, the concentration and the flux are equal. This approach results in a set of N
Sec. 4.2 LQ Control of Parabolic DPS 70
PDEs coupled through boundaries. The PDEs should be solved for each segment with
unspecified boundary data at the interfaces. Then, the solutions can be determined
by applying the continuity conditions.
Equations (4.44)-(4.48) can be solved by the method of separation of variables. We
will have:
#i(z, t) = Zi(z)Gi(t), z 2 [zi, zi+1
] (4.49)
Substituting the above equation in the original PDE, we obtain:
D@2Zi
@2z+ kiZi = ��2iZi (4.50)
which can be written as:
D@2Zi
@2z+$2
iZi = 0, $2
i = ki + �2i ; (4.51)
Eigenfunctions associated with Equation (4.51) have the form:
Zi(z) = ai sin($ix) + bi cos($ix) (4.52)
ai and bi are integration constants and should be calculated by the boundary
conditions at each segment. Since the PDEs are coupled through boundary conditions
these coe�cients should be calculated simultaneously. Finally, Zi can be obtained as
(de. Monte, 2002):
Zi(z) = a1
�i($i) (sin($iz) + �i cos($iz)) , z 2 [zi, zi+1
] (4.53)
where
�1
= 1; �i($1
, · · · ,$i) = �i,i�1
�i�1,i�2
· · ·�2,1 (4.54)
and
�i,i�1
($1
, · · · ,$i) =(sin($i�1
zi) + �i�1
cos($i�1
zi))
(sin($izi) + �i cos($izi))(4.55a)
�M,M�1
($1
, · · · ,$M) =1
kM
(cos($M�1
zi) � �M�1
sin($M�1
zM))
(cos($MzM) � �M sin($MzM))(4.55b)
Sec. 4.2 LQ Control of Parabolic DPS 71
�1
= �h1
sin($1
z1
) � k1
$1
cos($1
z1
)
h1
cos($1
z1
) + k1
$1
sin($1
z1
)(4.56a)
�i =
"cos($izi) (sin($i�1
zi) + �i�1
cos($i�1
zi))
� sin($izi) (cos($i�1
zi) � �i�1
sin($i�1
zi))
#
"sin($izi) (sin($i�1
zi) + �i�1
cos($i�1
zi))
+ cos($izi) (cos($i�1
zi) � �i�1
sin($i�1
zi))
# (4.56b)
�M = �hM+1
sin($MzM+1
) + kM$M cos($MzM+1
)
hM+1
cos($MzM+1
) � kM$i sin($MzM+1
)(4.56c)
�M can be evaluated by both Equation (4.56b) for i = M and Equation (4.56c).
Therefore, one can compute � by comparing these equations. A solution can be
obtained by using numerical or graphical methods. There are an infinite number of
eigenvalues satisfying this condition and each has a corresponding eigenfunction of
the form given in Equation (4.53).
Eigenvalues and eigenfunctions of the operator A
The operator A is triangular and therefore, its eigenvalues consist of eigenvalues of A11
and A22
, �(A) = �(A11
) [ �(A22
). Let �n and �n be eigenvalues and eigenfunctions
of the operators A11
and µn and n be eigenvalues and eigenfunctions of the operator
A22
computed by the method described in section 4.2.1. Hence, �(A) is given by:
�2n+1
= �n, forn � 0 (4.57)
�2n = µn, forn � 1 (4.58)
The corresponding eigenvectors can be found by solving the eigenvalue problem for
the operator A. For example, if we define �2n+1
=
"&1,n
&2,n
#as eigenvectors associated
with �2n+1
we have
A�2n+1
= �2n+1
�2n+1
"A
11
0
A21
A22
# "&1,n
&2,n
#= �n
"&1,n
&2,n
#(4.59)
Sec. 4.2 LQ Control of Parabolic DPS 72
Equation (4.59) simplifies to
A11
&1,n = �n&1,n (4.60a)
A21
&1,n + A
22
&2,n = �n&2,n (4.60b)
Equation (4.60a) implies that &1,n is eigenfunction of A
11
or &1,n = �n. Rearranging
Equation (4.60b) results in
&2,n = (�n � A
22
)�1A21
�n (4.61)
Therefore
�2n+1
=
"�n
(�nI � A22
)�1A21
�n
#(4.62)
Following the same approach for �2n results in
�2n =
"0
n
#(4.63)
The corresponding biorthonormal eigenfunctions can be computed by a similar
approach and are:
2n+1
=
"�n
0
#(4.64)
2n =
"(µnI � A
11
)�1A21
n
n
#(4.65)
In the equations above, (µnI � A11
)�1 and (�nI � A22
)�1 are the resolvents of the
operators A11
and A22
, respectively, and can be calculated using Equation (4.9)
(µnI � A11
)�1A21
n =1X
m=0
1
µn � �mhA
21
n,�mi�m
(�nI � A22
)�1A21
�n =1X
m=0
1
�n � µm
hA21
�n, mi m
Eigenvalues and eigenfunctions of the operator Ae
Ae is a triangular operator with A and 0 as its diagonal elements, therefore �(Ae) =
�(A) [ {0}. The multiplicity of {0} is denoted by r0
and is equal to the number
Sec. 4.3 Stability Analysis 73
of manipulated variables. Following a similar approach to the previous section, the
corresponding eigenfunctions on the extended space are given by
�i0 =
"ei
�A�1(AB)
#=
"eiP1
m=0
1
�mhAB, mi�m
#, i = 1, . . . , r
0
(4.66)
and
�n =
"0
�n
#, n � 1 (4.67)
where �n is the eigenfunction of the operator A and ei, i = 1, . . . ,m is the orthonormal
basis function for U . Calculation of the associated biorthonormal eigenfunctions is
straightforward and are given by:
i0 =
"ei
0
#, i = 1, . . . , r
0
n =
"1
�n(AB)⇤ n
n
#
where �n and n are the eigenvalues and the corresponding eigenfunctions of A⇤. In
the equations above, �i0 and i0 are corresponding eigenfunctions and biorthonormal
eigenfunctions corresponding to eigenvalues equal to 0.
4.3 Stability Analysis
Theorem 4.3.1. Consider the family of operators {Ae(t)}t�0
given by Equations
(4.38)-(4.39). Then, {Ae(t)}t�0
is a stable family of infinitesimal generators of C0
-
semigroup on H.
Proof. Operator A has a lower triangular form and the diagonal elements of �Aare Sturm-Liouville operators. Therefore, A
11
, A22
are the infinitesimal generators
of C0
-semigroups T11
and T22
, respectively (Winkin et al. (2000), Delattre et al.
(2003)). As discussed in §4.2.1, eigenvalues of A consist of eigenvalues of A11
and A22
.
Therefore, the operator A has real, countable and distinct eigenvalues. Furthermore,
eigenfunctions of A and its adjoint are biorthogonal. Thus, the operator A is a Riesz
Sec. 4.3 Stability Analysis 74
spectral operator(Delattre et al., 2003). By (Curtain and Zwart, 1995), Lemma 3.2.2,
the operator A is the infinitesimal generator of the C0
-semigroup T given by
T (t) =
"T11
(t) 0
T21
(t) T22
(t)
#(4.68)
where
T21
(t)x1
=
Z t
0
T22
(t � s)A21
T11
(s)x1
ds (4.69)
By the same approach, one can deduce that the operator Ae is a Riesz spectral
operator and generates a C0
- semigroup given by:
T e(t) =
"I 0
S(t) T (t)
#(4.70)
where S(t)x =R t
0
T (s)ABxds, and T (t) is the C0
-semigroup generated by A.
Theorem 4.3.2. Consider the state linear systemP
(A,B,�), where A is a Riesz-
Spectral operator on the Hilbert space Z with the representation
Az =1X
n=1
�n
rnX
j=1
hz, nji�nj (4.71)
{�n, n � 1} are eigenvalues of A with finite multiplicity rn, and {�nj, j =
1, · · · , rn, n � 1} and { nj, j = 1, · · · , rn, n � 1} are generalized eigenfunctions of A
and A⇤, respectively. B is a finite rank operator defined by
Bu =mX
i=1
biui, where bi 2 Z (4.72)
Necessary and su�cient conditions forP
(A,B,�) to be �-exponentially
stabilizable are that there exists an ✏ > 0 such that �+
��✏(A)comprises, at most, finitely
many eigenvalues and
rank
0
BB@
hb1
, n1i · · · hbm, n1i...
...
hb1
, nrni · · · hbm, nrni
1
CCA = rn (4.73)
for all n such that �n 2 �+
��✏(A).
Sec. 4.3 Stability Analysis 75
Proof. Since �+
��✏(A) comprises at most finitely many eigenvalues, Z+
��✏ is finite
dimensional. Therefore, A satisfies the spectrum decomposition assumption (Curtain
and Zwart, 1995) and the corresponding spectral projection on the finite dimensional
subspace Z+
��✏ is given by
P��✏z =1
2⇡j
Z
���✏
(�I � A)�1zd� =X
�i2�+��✏
rnX
j=1
hz, nji�nj (4.74)
It can easily be calculated that
Z+
��✏ = span�n2�+
��✏
{�nj , j = 1, · · · , rn} (4.75)
Z���✏ = span
�n2����✏
{�nj , j = 1, · · · , rn} (4.76)
T���✏(t)z =
X
�n2����✏
e�nt
rnX
j=1
hz, nji�nj (4.77)
A+
��✏z =X
�n2�+��✏
�n
rnX
j=1
hz, nji�nj (4.78)
B+
��✏u =X
�n2�+��✏
rnX
j=1
hBu, nji�nj (4.79)
T���✏(t) satisfies the spectrum determined growth assumption and is �-exponentially
stable. Now we need to show that the finite dimensional systemP
(A+
��✏, B+
��✏,�)
is controllable, which is equivalent to proving that the reachability subspace ofP
(A+
��✏, B+
��✏,�) is dense in Z+
��✏. From Curtain and Zwart (1995, Definition
A.2.29), R is dense in Z+
��✏ if and only if R? = {0} where R? is the orthogonal
complement of R. R and R? are given by
R := {z 2 Z+
��✏| there exist ⌧ > 0 and u 2 L2
([0, ⌧ ];U) (4.80)
such that z =
Z ⌧
0
T+
��✏(⌧ � s)B+
��✏u(s)ds}
R? = {x 2 Z+
��✏|hx, yi = 0 for all y 2 R} (4.81)
Sec. 4.3 Stability Analysis 76
In order to have R? = {0}, there should be no x 2 Z+
��✏ that is orthogonal to the
reachability subspace R. This means that for every x 2 Z+
��✏, there is a u such that
hx, R ⌧
0
T+
��✏(⌧ � s)B+
��✏u(s)dsi 6= 0. It can be shown that this condition is equivalent
to
X
�n
e�n(⌧�s)
rnX
j=1
hx,�njihBu, nji 6= 0 (4.82)
Thus for every �n 2 �+ and j = 1, · · · , rn there exists a u such thatrnPj=1
hx,�njihBu, nji 6= 0. This condition is equivalent to
BnUn 6= 0 (4.83)
Bn =
2
66664
hb1
, n1i hb2
, n1i · · · hbm, n1ihb
1
, n2i hb2
, n2i · · · hbm, n2i...
......
hb1
, nrni hb2
, nrni · · · hbm, nrni
3
77775(4.84)
Un =
2
66664
hu1
, n1i hu1
, nrni · · · hu1
, nrnihu
2
, n1i hu2
, n2i · · · hu2
, nrni...
......
hum, n1i hum, n2i · · · hum, nrni
3
77775(4.85)
If rank(Bn) < rn, there exists a u 6= 0 such that BnUn = 0. Thus, the system is
uncontrollable if rank(Bn) < rn. If rank(Bn) = rn, the only solution for BnUn = 0 is
u = 0 and therefore R? = {0} and the system is controllable.
By duality,P
(A,�, C) is �-exponentially detectable, ifP
(A⇤, C⇤,�) is �-
exponentially stabilizable. Similarly, the systemP
(Ae,�, Ce) is �-exponentially
detectable.
Remark 4.3.1. Consider the infinite dimensional systemP
(Ae, Be, Ce) given by
Equation (4.30). As discussed in §4.2.1, the eigenvalues of Ae consist of eigenvalues
of A and 0 with finite multiplicity m. Since the diagonal entries of A are Sturm-
Liouville operators, the spectrum of A is finitely bounded (i.e., there exists a ! such
that all � 2 �(A) < !). Therefore, for any arbitraty �, �+
��✏(Ae) comprises finitely
Sec. 4.4 Case Study: A Fixed-Bed Reactor with Axial Dispersion 77
many eigenvalues and the first condition of Theorem (4.3.2) holds. The condition
(4.73) depends on the choice of B and should be verified for each case study.
4.4 Case Study: A Fixed-Bed Reactor with Axial
Dispersion
In this section, the proposed linear-quadratic optimal controller is applied to a tubular
catalytic cracking reactor. This process involves axial dispersion, convection and
reactions, and can be modelled by a set of parabolic equations. The controller is used
to regulate the distribution of the concentration of gasoline along the length of the
reactor by manipulating the inlet concentration.
4.4.1 Model Description
The model that is used to describe the catalytic cracking reactor is developed
by Froment (1990). This simplified model of the system considers three lumped
components: feed (gas oil), gasoline fraction and the remaining products (e.g.,
butanes, coke, dry gas). The reaction scheme is as following
Ak1�! B
k2�! C
Ak3�! C
(4.86)
where A represents gas oil, B gasoline, and C other products. The rate equations are
(Weekman, 1969):
rA = �(k1
+ k3
)y2A = �k0
y2A
rB = k1
y2A � k2
yB(4.87)
The schematic diagram of the reactor is shown in Figure 4.2. To model the
reactor, an isothermal process is considered. Therefore the dynamics of the system are
described by the following parabolic partial di↵erential equations (PDEs) representing
Sec. 4.4 Case Study: A Fixed-Bed Reactor with Axial Dispersion 78
Ak1�! B
k2�! C
Ak3�! C
yAin , yBin yA(l, t), yB(l, t)
Figure 4.2: Schematic diagram of the catalytic cracking reactor
the component balances within the reactor:
@yA@t
= Da@2yA@z2
� v@yA@z
+ rA,
@yB@t
= Da@2yB@z2
� v@yB@z
+ rB
(4.88)
Initial and boundary conditions are:
Da@yA@z
|z=0
= v(yA|z=0
� yAin),
Da@yB@z
|z=0
= v(yB|z=0
� yBin),
@yA@z
|z=l = 0,
@yB@z
|z=l = 0,
yA(z, 0) = yA0(z),
yB(z, 0) = yB0(z)
(4.89)
In the equations above, yA, yB, Da, v, yAin , and yBin denote the weight fractions of
reactant A and B, the axial dispersion coe�cient, the superficial velocity, the inlet
weight fraction of component A, and the inlet weight fraction of component B,
respectively.
The corresponding steady-state equations of the PDE model defined by Equation
(4.88) are given by the following ordinary di↵erential equations:
Da@2yAss
@z2� v
@yAss
@z� k
0
y2Ass= 0,
Da@2yBss
@z2� v
@yBss
@z+ k
1
y2Ass� k
2
yBss = 0
(4.90)
Sec. 4.4 Case Study: A Fixed-Bed Reactor with Axial Dispersion 79
Linearized model
Let us define the following state variables:
✓(t) =
"yA � yAss
yB � yBss
#(4.91)
and assuming the inlet weight fraction of A, yAin as the manipulated variable, the
new input is:
u(t) = v(yAin � yAin,ss) (4.92)
Then, the nonlinear system given in Equation (4.88) can be linearized around its
steady state profile to yield:
@
@t
"✓1
✓2
#=
"Da
@2
@z2� v @
@z� 2k
0
yAss 0
2k1
yAss Da@2
@z2� v @
@z� k
2
# "✓1
✓2
#(4.93)
with the initial and boundary conditions:
Da@
@z
"✓1
✓2
#
z=0
= v
"✓1
✓2
#
z=0
�"u
0
#,
Da@
@z
"✓1
✓2
#
z=l
=
"0
0
#,
✓(z, 0) = ✓0
=
"✓10(z)
✓20(z)
#=
"yA0 � yAss
yA0 � yAss
#(4.94)
The linearized model given by Equation (4.93) is a set of linear Sturm-
Liouville equations and can be converted into a di↵usion-reaction system with the
transformation given in Equation (4.19). The resulting equations are:
@
@t
"x1
x2
#=
"Da
@2
@z2� k
1
(z) 0
2k1
yAss(z) Da@2
@z2� k
2
# "x1
x2
#(4.95)
with the following boundary and initial conditions:
Da@
@z
"x1
x2
#
z=0
=v
2
"x1
x2
#
z=0
�"
u
0
#
Da@
@z
"x1
x2
#
z=l
= �v
2
"x1
x2
#
z=l
x(z, 0) = x0
(4.96)
where x0
= e�v2D z✓
0
, k1
(z) = � v2
4Da� 2k
0
yAss(z) , and k2
= � v2
4Da� k
2
.
Sec. 4.4 Case Study: A Fixed-Bed Reactor with Axial Dispersion 80
Infinite-Dimensional representation
Equations (4.95)-(4.96) can be formulated as an abstract boundary control problem
on the Hilbert space H := L2(0, l) ⇥ L2(0, l) given by (4.22),
The operator A is given as follows:
A =
"Da
d2
dz2� k
1
(z) 0
2k1
yAss(z) Dad2
dz2� k
2
#:=
"A
11
0
A21
A22
#(4.97)
with the domain:
D(A) = {x 2 H : x anddx
dzare a.c. ,
d2x
dz22 H and Da
@x1
(l, t)
@z+
v
2x1
(l, t) = 0,
(4.98)
Da@x
2
(0, t)
@z� v
2x2
(0, t) = 0, Da@x
2
(l, t)
@z+
v
2x2
(l, t) = 0} (4.99)
where a.c. means that x is absolutely continuous. The boundary operatorB : H ! R
is given as:
Bx(z) =h
�Daddz
+ v2
0i "
x1
(0)
x2
(0)
#(4.100)
with the domain:
D(B) = {x 2 H : x is a.c. ,dx
dz2 H} (4.101)
and the output operator, C, is defined by the available measurement.
This abstract boundary control problem is transformed to a well-posed system as
discussed in section §4.2. The new operator A is defined by:
Ax = Ax
D(A) = D(A) \ ker(B)
= {x 2 H : x anddx
dzare a.c. ,
d2x
dz22 H
and Da@x(0, t)
@z+
v
2x(0, t) = 0, Da
@x(l, t)
@z+
v
2x(l, t) = 0}
(4.102)
The function B in equation (4.28) is an arbitrary function satisfying the conditions
(4.29a) and (4.29b). Here, it is assumed that B is a vector of two second order
polynomials and the coe�cients are found using the conditions (4.29a) and (4.29b)
Sec. 4.4 Case Study: A Fixed-Bed Reactor with Axial Dispersion 81
as following
B =
"B
1
B2
#(4.103)
B1
=�2
4Dal + vl2z2 +
2
v(4.104)
B2
= � 1
4Dal + vl2z2 +
1
4Da + vlz +
2Da
4Dav + v2l(4.105)
Finally, the new well posed system can be formulated using the procedure given in
§4.2, and the optimal control problem can be solved as discussed in section §4.2
4.4.2 Simulation Study
In this section the closed loop performance of the proposed approach is demonstrated.
Values of the model parameters are given in Table 4.1 (Weekman, 1969).
The LQ-controller discussed in the previous section was studied via a simulation
that used a nonlinear model of the reactor given in Equations (4.87)-(4.89). The
performance of the proposed controller was compared to a finite dimensional LQ
controller. The finite dimensional LQ controller was computed using the model
derived by converting the PDEs to ODEs by applying central finite di↵erence
approach.
Table 4.1: Model ParametersParameter Value Unit
k0
22.9 (hr⇥weight fraction)�1
k1
18.1 (hr⇥weight fraction)�1
k2
1.7 hr�1
Da 0.5 m2hr�1
v 2 m⇥hr�1
yAin 0.7 weight fraction
yBin 0 weight fraction
The control objective is to drive the trajectory of yB to the desired steady state
profile. Using the nominal operating conditions, and the model given in Equations
Sec. 4.4 Case Study: A Fixed-Bed Reactor with Axial Dispersion 82
0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 10.1
0.15
0.2
0.25
0.3
0.35
0.4
0.45
0.5
z (m)
yA
ss
0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 10.16
0.18
0.2
0.22
0.24
0.26
0.28
0.3
0.32
yB
ss
Figure 4.3: Steady state profile of yA and yB
(4.87)-(4.89), the steady-state profiles of yA and yB were computed and are shown in
Figure 4.3. Then, the nonlinear model was linearized around the stationary states and
transformed to the self-adjoint form of Equations (4.95)-(4.96). Spectra of operators
A11
and A22
were calculated using the algorithm discussed in §4.2.1. In order to
compute the spectrum of A11
, it was assumed that the length of the reactor is divided
into 50 equally-spaced sections and the coe�cient of the reaction term is constant in
each section. First five eigenvalues of the operator A11
are:
� = {�2.39 ⇥ 10�5,�1.34 ⇥ 10�4,�4.46 ⇥ 10�4,�1.12 ⇥ 10�3,�2.35 ⇥ 10�3}
The spectrum of A22
can be computed using Equations (4.41)-(4.43). First five
eigenvalues of A22
are:
� = {�2.04 ⇥ 10�6,�1.096 ⇥ 10�5,�5.68 ⇥ 10�5,�2.08 ⇥ 10�4,�5.78 ⇥ 10�4}
Finally, the spectrum of Ae was computed using Equations (4.66)-(4.67). The
results are shown in Figures 4.4-4.5. Once the eigenvalues and eigenfunctions of
Sec. 4.4 Case Study: A Fixed-Bed Reactor with Axial Dispersion 83
0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1!2.5
!2
!1.5
!1
!0.5
0
0.5
1
1.5
2
2.5
3
z (m)
�n(2
)
�0(2) ⇥ 10�2 �1(2) �3(2)
Figure 4.4: Second element of �n given by Equation (4.67) and Equations (4.62)-(4.63)
0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1
!3
!2
!1
0
1
2
3
z (m)
�n(3
)
�n(3) ⇥ 10�3 �1(3) �2(3) �3(3) �4(3)
Figure 4.5: Third element of �n given by Equation (4.67) and Equations (4.62)-(4.63)
Sec. 4.4 Case Study: A Fixed-Bed Reactor with Axial Dispersion 84
the operator Ae are calculated, the LQ-feedback controller can be computed using
Equation (4.36). Note that since ⇧ is a self-adjoint operator, h�n,⇧�mi = h�m,⇧�ni,therefore ⇧nm = ⇧mn. As a result, Equation (4.36) gives n(n+1)
2
coupled algebraic
equations that should be solved simultaneously where n is the number of modes that
are used to formulate the controller. Since there are two orders of magnitude di↵erence
between the first and fifth eigenvalues of the operator Ae, the e↵ect of higher order
eigenvalues on the dynamic of the system is considered to be negligible; therefore,
in this work, the first five modes were used for numerical simulation. The computed
LQ controller was applied to the nonlinear model of the reactor. Simulation of the
nonlinear system was performed using COMSOL R�. The closed loop trajectory of yB
is shown in Figure 4.6. It should be mentioned the simulation based on first 21 modes
resulted in identical results.
01000
20003000
40005000
0
0.2
0.4
0.6
0.8
10
0.1
0.2
0.3
0.4
0.5
0.6
0.7
t (s)z (m)
yB
0
0.05
0.1
0.15
0.2
0.25
0.3
0.35
0.4
0.45
0.5
Figure 4.6: Closed loop trajectory of yB
In order to investigate the performance of the controller, a LQ controller based on
a finite di↵erence method was designed. A very fine discretization (n=50) is used
to develop the controller. Tuning of the LQ controller based on finite di↵erence was
Sec. 4.4 Case Study: A Fixed-Bed Reactor with Axial Dispersion 85
challenging for this case study. Small values of input weight resulted in infeasible
values for manipulated variable. Since the manipulated variable is the inlet weight
fraction of component A, its value should be between 0 and 1. In Figure 4.7 the
trajectory of the manipulated variable is shown for three di↵erent cases. As it is
illustrated for R = 5 ⇥ 105 the value of yAin is greater than 1. This problem can be
solved by increasing the weight on the input. As it is shown in Figure 4.7, the optimal
input trajectory is feasible for R = 1 ⇥ 106.
0 500 1000 1500 2000 2500 3000 3500 4000 4500 50000.65
0.7
0.75
0.8
0.85
0.9
0.95
1
1.05
1.1
1.15
t (s)
yA
in
Infinite dimensional
Finite difference, R=5! 105
Finite difference, R=1! 106
Figure 4.7: Closed loop trajectory of the input variable (Inlet Concentration)
Closed loop trajectory of yB for R = 1 ⇥ 106 is shown in Figure 4.8. To compare
the performance of two approaches, the l2-norm of the error between the steady-
state and closed loop profiles have been calculated. The results are illustrated in
Figure 4.9. It can be observed that the l2-norm of the error for infinite dimensional
case is smaller than either finite dimensional cases. By increasing the weight on the
input for finite dimensional case, the performance deteriorates. The l2-norm of the
errors for finite and infinite dimensional controllers are given in Table 4.2. It can
be observed that this value for infinite dimensional case is 16% better than the best
Sec. 4.4 Case Study: A Fixed-Bed Reactor with Axial Dispersion 86
finite dimensional controller which is physically meaningful (i.e., results in values of
manipulated variable between 0 and 1).
01000
20003000
40005000
0
0.5
10
0.1
0.2
0.3
0.4
0.5
0.6
t (s)z (m)
yB
0
0.05
0.1
0.15
0.2
0.25
0.3
0.35
0.4
0.45
0.5
Figure 4.8: Closed loop trajectory of yB for finite dimensional controller
Table 4.2: Comparison of the l2-norm
Controller l2-norm
Infinite dimensional controller 1771
Finite dimensional controller with R = 5 ⇥ 105 1903
Finite dimensional controller with R = 1 ⇥ 106 2064
Designing of the infinite dimensional controller needs more e↵ort than the finite
dimensional controller, as it requires solution of eigenvalue problem given in §4.2.1.On the other hand the infinite dimensional controller results in better performance
than finite dimensional one. One might claim that by increasing the number of
discretization points in finite di↵erence algorithm, the finite dimensional controller
may result in better performance. Since the infinite dimensional controller involves
matrix algebra, increasing the size of the matrices results in increase in online
Sec. 4.5 Summary 87
0 500 1000 1500 2000 2500 3000 3500 4000 4500 50000
0.2
0.4
0.6
0.8
1
1.2
1.4
1.6
1.8
t (s)
no
rm o
f err
or
Infinite dimensional
Finite difference, R=5! 105
Finite difference, R=1! 106
Figure 4.9: Trajectory of tracking error
computation e↵ort: however, the infinite dimensional controller does not involve
matrix algebra. Thus by increasing the number of modes the computation e↵ort
will not increase significantly. It should also be mentioned that, unlike the finite
dimensional controller, the infinite dimensional controller results in feasible optimal
trajectories for all values of R. Di�culty in tuning the controller, computational
e↵ort and poor performance of the finite dimensional controller justifies implementing
the infinite dimensional controller. It should be noted that the infinite dimensional
controller requires more e↵ort for design but leads to a better performance.
4.5 Summary
In this chapter, optimal boundary control of infinite dimensional systems described
by a set of parabolic PDEs with spatially varying coe�cients was studied. Using
an exact transformation, the boundary control problem was transformed to a well-
posed abstract system. It was shown that the resulting system is a Riesz Spectral
Sec. 4.5 Summary 88
system. Stabilizability of the system was investigated using the spectral properties
of the system. In order to compute the spectra of the system, a method similar to
solution of the heat equation for composite media was used to compute the spectrum
of the system. Moreover, by using the spectral properties of the system, the operator
Riccati equation was converted to a set of algebraic equations that can be solved
numerically.
A tubular reactor with axial dispersion was considered as the case study. The
reactor can be modelled by a set of nonlinear parabolic partial di↵erential equations.
Linearization around the steady state profile of the system resulted in a set of linear
PDEs with spatially varying coe�cients. Then, an LQ controller was formulated
to regulate the output variable to the steady state profile. The performance of
the proposed controller was compared to an LQ controller based on finite di↵erence
approximation of the PDEs. Simulation results showed that the infinite dimensional
controller leads to better performance in terms of the l2-norm of the errors.
5LQ Control of Coupled Parabolic
PDE-ODE systems
In this chapter optimal control of a di↵usion-convection-reaction system with
catalyst deactivation modelled by a set of ODEs is studied. The system can
be described by a set of coupled parabolic PDEs and ODEs. This chapter is
the extension of the optimal controller discussed in Chapter 4. Most industrial
fixed-bed reactors, as well as fluidized-bed reactors, fall into this class of
distributed parameter systems and therefore, the contributions of this chapter
have significant industrial importance. The focus in this chapter is on catalytic
reactors, but the developed theory is applicable to any distributed parameter
system that can be described by the studied form of coupled PDE-ODE systems.
89
90
This chapter addresses infinite dimensional LQ control of the systems that are
described by a set of coupled parabolic PDEs and ODEs. These kind of systems arise
in modeling of chemical and bio-chemical processes, where part of the process is a
distributed parameter system and part of it is a lumped parameter system. Examples
of these systems include a tubular reactor followed by a well mixed reactor or a
catalytic reactor with catalyst deactivation, where the rate of the catalyst deactivation
is modelled by a set of ODEs. Two types of coupling can exist between PDEs and
ODEs. One type of coupling is through the boundary condition, where the boundary
condition of the distributed portion is a function of the state variables of the lumped
parameter system. A tubular and a well mixed reactor in series is a simple example for
this coupling. These kind of systems are called cascaded PDE-ODE systems and their
control was the subject of few recent studies (Krstic, 2009; Susto and Krstic, 2010).
The second type of coupling takes place in the domain of the PDE, which means the
parameters of the distributed part (e.g., the coe�cients) are functions of the states
of the lumped parameter system. Examples of this kind of coupling include catalytic
reactor with catalyst deactivation, where the deactivation kinetics is described by
a set of ODEs, or a heat exchanger with a time varying heat transfer coe�cient.
Most biochemical processes are also modelled by a set of coupled PDE-ODE with
in-domain coupling (e.g., in-situ bioremediation). To the best of authors knowledge,
there is no published work on the infinite dimensional optimal control of coupled
parabolic PDEs-ODEs with in-domain coupling and this work is the first step on the
study of infinite dimensional optimal controller for these systems.
In this chapter, the distributed parameter part of the system is assumed to be
similar to the infinite dimensional system studied in Chapter 4 and it is assumed that
the parameters of the reactive term are modelled by a set of ODEs which represent
the deactivation kinetics. Similar to Chapter 4, we are interested in the boundary
control of the system.
By introducing a transformation, the coupled PDE-ODE system is converted to
decoupled subsystems. Conditions on the existence of this transformation is studied.
Sec. 5.1 Coupled PDE-ODE Systems: Mathematical Description 91
Then, by using the transformation introduced in Chapter 4, the boundary control
system is converted to a well-posed infinite dimensional system with bounded input
and output operators. The method of computing the spectrum of the operator
introduced in Chapter 4 is extended to address the PDE-ODE system. It is shown that
the resulting infinite dimensional system is a Riesz spectral system and its stability
condition is investigated. Finally, the state feedback LQ controller is formulated for
this system and its performance is analyzed using numerical simulations.
This chapter is an important step for optimal control of the most general form of
the distributed parameter systems. The main contributions of this chapter can be
summarized as
• Formulation and solution of an optimal boundary control problem for coupled
parabolic PDE-ODE systems with in-domain coupling;
• Stability analysis of coupled parabolic PDE-ODE system with in-domain
coupling.
5.1 Coupled PDE-ODE Systems: Mathematical
Description
The problem of interest in this chapter is a system that consists of a set of parabolic
PDEs coupled with a set of ODEs. Since most chemical processes are nonlinear in
nature, we will start with nonlinear model of the system and will then linearize the
model around the steady state profile of the system. Following a few transformations
that will be introduced in this section, the linearized coupled PDE-ODE system will
be formulated as a well-posed infinite dimensional system with bounded input and
output operators, which is suitable for controller formulation.
For the rest of this chapter, it is assumed that the PDE part of the system is similar
to what we have considered in Chapter 4. It is also assumed that the parameters of the
kinetic terms in the parabolic equations are variable and modelled by a set of ODEs.
The mathematical representation of such a system can be given as the following set
Sec. 5.1 Coupled PDE-ODE Systems: Mathematical Description 92
of quasi-linear parabolic PDEs and nonlinear ODEs:
@X
@t= D
@2X
@z2� V
@X
@z+R(k,X)
dk
dt= f(k)
(5.1)
With the following initial and boundary conditions
D@X
@z|z=0
= V(Xz=0
� Xin)
@X
@z|z=l = 0
X(z, 0) = X0
k(0) = k0
(5.2)
where X(., t) =hX
1
(., t) · · · Xn(., t)iT
2 H := L2(0, l)n denotes the vector of
state variables of the distributed parameter portion, k =hk1
(t) · · · km(t)iT
2K := Rm denotes the vector of state variables for the lumped parameter portion of
the model. z 2 [0, l] 2 R and t 2 [0,1) denote position and time, respectively. D and
V are matrices of appropriate sizes. R is a Lipschitz continuous nonlinear operator
from H � K into H. f is a matrix of appropriate size whose entries are functions
defined in R. In a catalytic reactor, R represents the reaction term and f represents
the deactivation kinetics.
The nonlinear system (5.1)-(5.2) can be linearized around the steady state profile
and the resulting linear system is:
@X 0
@t= D
@2X 0
@z2� V
@X 0
@z+N
1
(z)X 0 +N2
(z)k0 (5.3a)
dk0
dt=
df(k)
dk|ssk0 (5.3b)
Sec. 5.1 Coupled PDE-ODE Systems: Mathematical Description 93
the boundary and initial conditions are:
D@X 0
@z|z=0
= V(X 0z=0
� X 0in)
@X 0
@z|z=l = 0
X 0(z, 0) = X 00
k0(0) = k00
(5.4)
where 0 indicates that the variables are in deviation form and N1
(z) = @R(k,X)
@X|ss and
N2
(z) = @R(k,X)
@k|ss.
The equation (5.3a) is a di↵usion-convection-reaction system. To simplify the
solution of the eigenvalue problem, it can be converted to a di↵usion-reaction system
by the following transformation
✓ = TX 0 = exp(�D�1V
2z)X 0 (5.5)
The resulting system is:
@✓
@t= D
@2✓
@z2+M
1
(z)✓ +M2
(z)k0 (5.6a)
dk0
dt= M
3
k0 (5.6b)
where M1
(z) = (TN1
(z)T�1 � VD�1V4
), M2
(z) = TN2
(z) and M3
= df(k)dk
|ss. The
boundary and initial conditions are:
D@✓
@z|z=0
=V
2✓z=0
� VX 0in
D@✓
@z|z=l = �V
2✓z=l
✓(z, 0) = ✓0
= T�1X 00
k0(0) = k00
(5.7)
Assuming that u = VX 0in, and by defining a new state vector
x =
"xd
xl
#=
"✓
k0
#(5.8)
Sec. 5.1 Coupled PDE-ODE Systems: Mathematical Description 94
the system (5.6)-(5.7) can be formulated as an abstract boundary control problem on
the space H = H � K given by
8>>>>>><
>>>>>>:
dx(t)dt
= Ax(t)
x(0) = x0
Bx(t) = u(t)
y(t) = Cx(t)
(5.9)
where A is a linear operator defined on the domain
D(A) = {x 2 H : xd anddxd
dzare a.c.,
dx2
d
dz22 H,D
dxd
dz|z=l = �V
2xd|x=l} (5.10)
and is given by
A =
"D 0
0 0
#d2.
dz2+
"M
1
M2
0 M3
#.I :=
"A
11
A12
0 A22
#(5.11)
The boundary operator B : H ! U := Rn is given by
Bx(.) =h
�D @@z
+ V2
0i "
xd
xl
#
z=0
(5.12)
Since M2
in Equation (5.11) is generally non-zero, xd and xl are coupled. By
introducing the following transformation, the system can be transformed to decoupled
subsystems:
⇤ =
"I J
0 I
#2 L(H) & x = ⇤x (5.13)
The operator A will be transformed to
A = ⇤A⇤�1 =
"A
11
�A11
J + A12
+ JA22
0 A22
#(5.14)
with D(A) = D(A). Therefore, if there exists a J that satisfies the following equation,
operator A will be decoupled.
�A11
J + A12
+ JA22
= 0 (5.15)
Sec. 5.1 Coupled PDE-ODE Systems: Mathematical Description 95
Remark 5.1.1. The Equation (5.15) is a Sylvester equation and admits a unique
solution if and only if �(�A11
) \ �(A22
) = ;. (Laub, 2005)
The solution is given by
J =
Z 1
0
T11
(t)A12
T12
(t)dt (5.16)
where T11
and T22
are C0
-semigroups generated by �A11
and A22
respectively
(Emirsajlow, 1999).
The resulting decoupled system is
8>>>>>><
>>>>>>:
dx(t)dt
= Ax(t)
x(0) = x0
Bx(t) = u(t)
y(t) = Cx(t)
(5.17)
where B = B⇤�1 and C = C⇤�1
The boundary control problem (5.17) is in the form of a standard abstract boundary
control problem and following a similar approach to §4.2, the abstract boundary
control problem (5.17) can be converted to a well-posed infinite dimensional system
with bounded input and output operators. The procedure is given below.
Define a new operator A by
Ax = Ax
D(A) = D(A) \ ker (B)
= {x 2 H : x anddx
dzare a.c.,
d2x
dz22 H
and Ddxd
dz|z=0
=V
2xd|z=0
,Ddxd
dz|z=l = �V
2xd|z=l}
(5.18)
If A generates a C0
-semigroup on H and there exist a B such that the following
conditions hold:
Bu 2 D(A) (5.19a)
BBu = u, u 2 U (5.19b)
Sec. 5.1 Coupled PDE-ODE Systems: Mathematical Description 96
the system (5.17) can be transformed into the following infinite dimensional system
with bounded input operator on the state space He = H � U
xe(t) = Aexe(t) + Beu(t)
ye(t) = Cexe(t)(5.20)
where
Ae =
"0 0
AB A
#, Be =
"I
�B
#, Ce = C
hB I
i(5.21)
and u(t) = u(t) and xe(t) =hu(t) x(t) � Bu(t)
iTare the new input and state
variables.
Remark 5.1.2. Consider B = ⇤�1B, then the conditions (5.19a)-(5.19b) become
Bu 2 D(A) and BBu = u, respectively. One can assume that B =hBd Bl
iT,
then the following conditions are equivalent to (5.19a)-(5.19b).
DdBd(0)
dz� V
2Bd(0) = I
DdBd(l)
dz+
V
2Bd(l) = 0
Bl 2 K
(5.22)
Bd can be any function that satisfies the above conditions. For simplicity one can
assume that Bd is a matrix of polynomials. Bl is any arbitrary matrix in K. Finally
B can be calculated by
B = ⇤B =
"Bd + JBl
Bl
#(5.23)
The infinite dimensional system (5.20) is in the form of a standard infinite
dimensional system and now we are in the position to proceed with stability analysis
and controller formulation for this system. It should be mentioned that, since all of the
transformations introduced in this chapter are exact transformations and there was
no approximation involved, all of the dynamical properties of the original linearized
Sec. 5.2 Coupled PDE-ODE Operator: Eigenvalue Problem 97
system are preserved. Hence, we can perform stability analysis and controller
formulation on the transformed system (5.20), and then apply the designed controller
to the original system. In order to perform the stability analysis, we need to solve
the eignenvalue problem for the system (5.20).
5.2 Coupled PDE-ODE Operator: Eigenvalue
Problem
In this section the solution of the eigenvalue problem that was introduced in Chapter
4 is extended to the case of coupled PDE-ODE systems. As discussed in Chapter
4, there is no general algorithm for analytical solution of eigenvalue problem for a
general form of parabolic operator. Therefore, in this section we will consider the
following assumptions:
1. N1
in (5.3a) is lower triangular, which leads to lower triangular form of A11
.
For most of chemical engineering processes, one can use a transformation to
triangularize the system.
2. The number of state variables in (5.3a) is two. Extension to more than two
variables is straightforward.
3. Without loss of generality, N3
is diagonal. Note that, N3
is a matrix and is
always diagonalizable, if its eigenvalues are simple.
Then the eigenvalue problem of interest will be:
Ae� = �� (5.24)
where Ae has the following form
Ae =
"0 0
AB A
#(5.25)
Sec. 5.2 Coupled PDE-ODE Operator: Eigenvalue Problem 98
and
A =
"A
11
0
0 A22
#
A11
:=
"F11
0
F21
F22
#=
"D
11
d2
dz2+M
11
(z) 0
M21
(z) D22
d2
dz2+M
22
(z)
#
A22
=
"↵11
0
0 ↵22
#(5.26)
Eigenvalues and Eigenfunctions of AThe operator A is a block diagonal operator, therefore �(A) = �(A
11
) [ �(A22
).
Since A11
is a lower triangular operator �(A11
) = �(F11
) [ �(F22
). Then, �(A) =
�(F11
) [ �(F22
) [ �(A22
)
The operator A11
is similar to operator A in Chapter 4 and its spectrum can be
calculated by the same approach. Let �n and �n be eigenvalues and eigenfunctions
of the operator F11
and µn and n be eigenvalues and eigenfunctions of the operator
F22
. Then according to §4.2.1, the eigenvalues of the operator A11
are
�(A11
) = �(F11
) [ �(F2
) = {�n, µn} n = 1, · · · ,1 (5.27)
and the associated eigenvectors are:
("�n
(�nI � A22
)�1A21
�n
#,
"0
n
#)n = 1, · · · ,1 (5.28)
The corresponding bi-orthonormal eigenfunctions can be computed by solving the
eigenvalue problem for A⇤11
and are given by:
("�n
0
#,
"(µnI � A
11
)�1A21
n
n
#)n = 1, · · · ,1 (5.29)
A22
is a diagonal matrix and its eigenvalues are {↵11
,↵22
} with the associated
eigenvectors {[1, 0]T , [0, 1]T}. Finally:
�(A) = {�n, µn,↵11
,↵22
} n = 1, · · · ,1 (5.30)
Sec. 5.2 Coupled PDE-ODE Operator: Eigenvalue Problem 99
and the associated eigenfunctions are8>>>><
>>>>:
2
66664
�n
(�nI � A22
)�1A21
�n
0
0
3
77775,
2
66664
0
n
0
0
3
77775,
2
66664
0
0
1
0
3
77775,
2
66664
0
0
0
1
3
77775
9>>>>=
>>>>;
n = 1, · · · ,1 (5.31)
The corresponding bi-orthonormal eigenfunctions are
8>>>><
>>>>:
2
66664
�n
0
0
0
3
77775,
2
66664
(µnI � A11
)�1A21
n
n
0
0
3
77775,
2
66664
0
0
1
0
3
77775,
2
66664
0
0
0
1
3
77775
9>>>>=
>>>>;
n = 1, · · · ,1 (5.32)
Eigenvalues and Eigenfunctions of Ae
Assume that the operator A has eigenvalues {�k, k � 1} and biorthonormal pair
{(�k, k), k � 1}. The operator Ae is similar to operator Ae in Chapter 4, and its
spectrum is calculated by the same approach. �(Ae) = �(A) [ {0} and �0
= 0 has a
multiplicity ofm, wherem is the number of manipulated variables. The corresponding
eigenfunctions for �0
are
�i0
=
"ei
�A�1(AB)
#=
"eiP1
k=0
1
�khAB, ki�k
#, i = 1, · · · ,m (5.33)
where ei, i = 1, · · · ,m is the orthonormal basis for U = Rn.
The corresponding bi-orthonormal eigenfunction of Ae is
i0
=
"ei
0
#, i = 1, · · · ,m (5.34)
For � 2 �(A), the associated bi-orthonormal pair are
�n =
"0
�n
#& n =
"1
�n(AB)⇤ n
n
#(5.35)
The procedure for solution of eigenvalue problem for operator Ae can be
summarized as:
Sec. 5.3 Stability Analysis of PDE-ODE Systems 100
• Compute the spectra of the operators F11
and F22
using the method proposed
in Chapter 4
• Given the spectra of F11
and F22
, compute the spectrum of A11
using Equations
(5.27)-(5.29)
• Compute spectrum of A22
• Given the spectra of A11
and A22
, compute the spectrum of A using Equations
(5.30)-(5.32)
• Compute the spectrum of Ae using Equations (5.33)-(5.35)
Now we have all the required information for stability analysis of the system, which
is the topic of the following section.
5.3 Stability Analysis of PDE-ODE Systems
Theorem 5.3.1. Consider operator A given by Equation (5.26). Then A is an
infinitesimal generator of C0
-semigroup on H.
Proof. Operators �F11
and �F22
, the diagonal entries of operator �A11
, are Sturm-
Liouville operators. Therefore, �F11
and �F22
are infinitesimal generators of C0
-
semigroups T11
and T22
, respectively. They both have real, countable and distinct
eigenvalues.
Operator A11
has a lower triangular form and its eigenvalues consist of eigenvalues
of F11
and F22
. Therefore, the operator A11
also has real, countable and distinct
eigenvalues. Furthermore, eigenfunctions of A11
and its adjoint are bi-orthonormal.
Thus, the operator A11
is a Riesz spectral operator (Delattre et al., 2003). By Curtain
and Zwart (1995), Lemma 3.2.2, the operator A11
is the generator of the C0
-semigroup
T11
given by
T11
(t) =
"T11
(t) 0
T21
(t) T22
(t)
#(5.36)
Sec. 5.3 Stability Analysis of PDE-ODE Systems 101
where
T21
(t)x1
=
Z t
0
T22
(t � s)F21
T11
(s)x1
ds (5.37)
Operator A22
, is a diagonal finite dimensional operator and therefore is the
generator of the semigroup T22
= exp(�A22
t). Thus, the operator A is the
infinitesimal generator of the following C0
-semigroup
T (t) =
"T11
(t) 0
0 T22
(t)
#(5.38)
Theorem 5.3.2. Consider operator Ae given by Equation (5.20). Then Ae is an
infinitesimal generator of C0
-semigroup on He.
Proof. Eigenvalues of operator Ae consist of eigenvalues of A and 0 with finite
multiplicity m. It is shown in Theorem 5.3.1 that eigenvalues of A are real,
countable and distinct. Therefore, Ae has real, countable eigenvalues with finite
multiplicity. Moreover, generalized eigenfunctions of Ae and its adjoint are bi-
orthonormal. Therefore, generalized egienfunctions of Ae form a Riesz basis for He.
Furthermore, Ae is a Riesz spectral operator and is the generator of a C0
-semigroup
given by
T e(t) =
"I 0
S(t) T (t)
#(5.39)
where S(t)x =R t
0
T (s)ABxds, and T (t) is the C0
-semigroup generated by A.
Theorem 5.3.3. Consider the state linear systemP
(Ae, Be, Ce) given by Equation
(5.20)
A necessary and su�cient condition forP
(Ae, Be,�) to be �-exponentially
stabilizable is
rank
0
BB@
hb1
, n1i · · · hbm, n1i...
...
hb1
, nrni · · · hbm, nrni
1
CCA = rn (5.40)
Sec. 5.4 LQ Control of PDE-ODE Systems 102
for all n such that �n 2 �+
� (A).
Proof. Ae is a Riesz-Spectral operator and its eigenvalues consist of eigenvalues of
A and 0 with finite multiplicity m. Based on Theorem (4.3.2), the necessary and
su�cient conditions forP
(Ae, Be,�) to be ��exponentially stable are that there
exist an ✏ > 0 such that �+
��✏(Ae) comprises, at most, finitely many eigenvalues and
the rank condition (5.40) holds.
Diagonal entries of A are Sturm-Liouville operators, the spectrum of A is finitely
bounded (i.e., there exists a ! such that all � 2 �(A) < !). Therefore, for any
arbitrary � and ✏, �+
��✏(Ae) comprises finitely many eigenvalues and the first condition
holds. Therefore, the necessary and su�cient condition for ��exponential stability
of �(Ae, Be,�) reduces to (5.40). Validity of this condition depends on the choice of
B and should be verified for each case study.
5.4 LQ Control of PDE-ODE Systems
The extended state space system (5.20) is similar to the extended system (4.30),
therefore formulation of the LQ controller is similar to §4.2. The Algebraic Riccati
Equation (4.33) is independent of the type of operators, but its solution depends on
the properties of the infinite dimensional system. In the previous section we discussed
that the infinite dimensional system (5.20) is a Riesz Spectral system and therefore
the solution of optimal control problem for this system can also be found by solving
the set of algebraic equations given in (4.36).
In the following section, a case study involving a catalytic reactor with catalyst
deactivation will be investigated and the performance of the optimal controller will
be explored.
Sec. 5.5 Case study: Catalytic Cracking Reactor with Catalyst Deactivation 103
5.5 Case study: Catalytic Cracking Reactor with
Catalyst Deactivation
In this section, the proposed approach is applied to the catalytic cracking reactor
discussed in Chapter 4 with the assumption that the catalyst deactivates with time.
The control objective is to regulate the trajectory of CB, gasoline, at the steady
state profile using the inlet concentration of A as the manipulated variable. The
system will be represented as an infinite dimensional system using the procedures
discussed in previous sections. The transformations required to decouple the PDE-
ODE system and to convert the system to a well-posed infinite dimensional system will
be computed in detail. Finally, numerical simulations will be performed to analyze
the closed loop performance of the controller.
Model description
The model that is used is similar to the model of the catalytic cracking reactor in
Chapter 4. The only di↵erence is that the deactivation of the catalyst should also be
considered. The reaction scheme is given by Equations
Ak1�! B
k2�! C
Ak3�! C
(5.41)
with the kinetic equations given by
rA = �(k1
+ k3
)y2A = �k0
y2A
rB = k1
y2A � k2
yB(5.42)
It is assumed that the catalyst deactivation will only a↵ect the pre-exponential
factor of the main reaction, and k1
will be modelled by
dk1
dt= ↵k
1
+ �, k1
(0) = k10 (5.43)
The above equation for the rate of deactivation of the catalyst, is equivalent to the
exponential decay assumption, which is a common assumption for modelling catalyst
Sec. 5.5 Case study: Catalytic Cracking Reactor with Catalyst Deactivation 104
deactivation. It is in agreement with the observation that the catalyst deactivation
consists of three phases: rapid initial deactivation, slow deactivation and stabilization
(Kallinikos et al., 2008).
The model of the reactor will consist of Equations (4.88)-(4.89) and (5.43). The
linearization of the model can be performed similar to Chapter4. By defining the new
state and input variables
✓(t) =
2
64yA � yAss
yB � yBss
k1
� k1ss
3
75 , u(t) = v(yAin � yAin,ss) (5.44)
the linearized model will have the form of
@
@t
2
64✓1
✓2
✓3
3
75 =
2
64Da
@2
@z2� v @
@z� 2(k
1ss + k3
)yAss 0 �y2Ass
2k1ssyAss Da
@2
@z2� v @
@z� k
2
y2Ass
0 0 ↵
3
75
2
64✓1
✓2
✓3
3
75
(5.45)
with the initial and boundary conditions:
Da@
@z
"✓1
✓2
#
z=0
= v
"✓1
✓2
#
z=0
�"
u
0
#,
Da@
@z
"✓1
✓2
#
z=l
=
"0
0
#,
✓(z, 0) = ✓0
=
2
64✓10(z)
✓20(z)
✓30
3
75 =
2
64yA0 � yAss
yA0 � yAss
k10 � k
1ss
3
75
(5.46)
The set of equations (5.45) can be converted to a di↵usion-reaction system by using
the transformation given by Equation (5.5). The resulting system is
@
@t
2
64x1
x2
x3
3
75 =
2
64Da
@2
@z2� k
1
(z) 0 �y2Ass
2k1ssyAss(z) Da
@2
@z2� k
2
y2Ass
0 0 ↵
3
75
2
64x1
x2
x3
3
75 (5.47)
Sec. 5.5 Case study: Catalytic Cracking Reactor with Catalyst Deactivation 105
with the following initial and boundary conditions
Da@
@z
"x1
x2
#
z=0
=v
2
"x1
x2
#
z=0
�"
u
0
#
Da@
@z
"x1
x2
#
z=l
= �v
2
"x1
x2
#
z=l
x(z, 0) = x0
(5.48)
where
x =
2
64e�
v2D z✓
1
e�v2D z✓
2
✓3
3
75
T
2 H := L2(0, l)2 � R, x0
=
2
64e�
v2D z✓
10
e�v2D z✓
20
✓30
3
75
T
2 H
k1
(z) = � v2
4D� 2(k
1ss + k3
)yAss , and k2
= � v2
4D� k
2
The infinite dimensional representation of the system (5.47)-(5.48) on Hilbert space
H has the form of (5.9) by defining the operator A as:
A =
2
64Da
@2
@z2� k
1
(z) 0 �y2Ass
2k1ssyAss(z) Da
@2
@z2� k
2
y2Ass
0 0 ↵
3
75 (5.49)
D(A) = {x 2 H : x anddx
dzare a.c.,
dx2
dz22 H,Da
dx1
dz|z=l = �v
2x1
|x=l
Dadx
2
dz|z=l = �v
2x2
|x=l, Dadx
1
dz|z=0
=v
2x1
|x=0
}(5.50)
and the boundary operator B by
Bx(.) =h
�Da@@z
+ v2
0 0i2
64x1
x2
x3
3
75
z=0
(5.51)
Assuming that, the control variable is x2
, the output operator C is:
C = C0
I =h0 1 0
i(5.52)
By performing the transformation (5.13), the operator A can be converted to a
block diagonal form and the decoupled infinite dimensional system (5.17) will be
computed. Using Equation (5.16), the operator J in Equation (5.13) is
Sec. 5.5 Case study: Catalytic Cracking Reactor with Catalyst Deactivation 106
J =
Z 1
0
T11
(t)A12
T22
(5.53)
T11
and T22
are the C0
-semigroups generated by �A11
and A22
. A11
,A22
and A12
are
given by
A11
=
"Da
@2
@z2� k
1
(z) 0
2k1ssyAss(z) Da
@2
@z2� k
2
#, A
12
=
"�y2Ass
y2Ass
#, A
22
=h↵
i(5.54)
• Computation of T11
A11
is a lower triangular operator and as discussed in §5.3 generates the C0
-
semigroup T11
given by
T11
(t) =
"T11
(t) 0
T21
(t) T22
(t)
#(5.55)
Where T11
and T22
are the semigroups generated by the diagonal elements of
�A11
and are given by
T11
(t)x =1X
n=1
e��nthx,�ni�n (5.56)
T22
(t)x =1X
n=1
e�µnthx, ni n (5.57)
�n, µn,�n and n can be calculated using the approach discussed in §5.2. T21
(t)
can be calculated using T11
(t) and T22
(t) by
T21
(t)x =
Z t
0
T22
(t � s)FT11
(s)xds (5.58)
where F is the o↵-diagonal element of A11
and is equal to 2k1ssyAss(z). By
performing simple calculations, T21
(t) becomes
T21
(t)x =1X
n=1
1X
m=1
�e��mt � e�µnt
�m � µm
hx,�mihF�m, ni n (5.59)
Sec. 5.5 Case study: Catalytic Cracking Reactor with Catalyst Deactivation 107
• Computation of T22
A22
is just an scalar and the semigroup generated by it is
T22
= e↵t (5.60)
• Computation of J
Using Equation (5.53) and Equations (5.55)-(5.60), and assuming that A12
="N
1
N2
#, J can be computed as:
J =
"J1
J2
#(5.61)
J1
x =1X
n=1
1
�n + ↵hN
1
x,�ni�n (5.62)
J2
x =1X
n=1
1X
m=1
1
(�n + ↵)(µm + ↵)hN
1
x,�nihF�n, mi m (5.63)
+1X
m=1
1
µm + ↵hN
2
x, mi m (5.64)
Finally, by defining A = ⇤A⇤�1, B = B⇤�1 and C = C⇤�1, the decoupled abstract
boundary control problem becomes:
8>>>>>><
>>>>>>:
dx(t)dt
= Ax(t)
x(0) = x0
Bx(t) = u(t)
y(t) = Cx(t)
(5.65)
The abstract boundary control problem (5.65), can be converted to a well-posed
infinite dimensional system with bounded input and output operators using Equations
(5.18)-(5.21). In the Equation (5.21), B can be calculated using the discussion in
Remark 5.1.2. Since B is any arbitrary function that satisfies conditions (5.22), we
assume that Bd =
"B
1
B2
#and B
1
and B2
are both second order polynomials. Using
Sec. 5.6 Numerical Simulations 108
the conditions (5.22), B1
and B2
are:
B1
=�2
4Dal + vl2z2 +
2
v(5.66)
B2
= � 1
4Dal + vl2z2 +
1
4Da + vlz +
2Da
4Dav + v2l(5.67)
Bl is any arbitrary number in R and we assume that Bl = 1. Finally B becomes:
B =
2
64B
1
+ J1
Bl
B2
+ J2
Bl
Bl
3
75 (5.68)
Now we are in a position to use the formulated LQ controller in §4.2 to control
the resulting well-posed infinite dimensional system of form (5.20) and analyze its
performance by numerical simulation.
5.6 Numerical Simulations
In this section the performance of the proposed approach is demonstrated. The LQ
controller discussed in the previous section was studied via a simulation that used a
nonlinear model of the reactor given in Equations (4.87)-(4.89) and (5.43). Values of
the model parameters are given in Table 5.1 (Weekman, 1969).
Table 5.1: Model ParametersParameter Value Unit
k1
18.1 (hr⇥weight fraction)�1
k2
1.7 hr�1
k3
4.8 (hr⇥weight fraction)�1
Da 0.5 m2hr�1
v 2 m⇥hr�1
yAin 0.7 weight fraction
yBin 0 weight fraction
↵ -0.001 hr�1
� 9.05 ⇥ 10�3
The control objective is to regulate the trajectory of yB at the desired steady state
Sec. 5.6 Numerical Simulations 109
profile. Deactivation of catalyst has a negative impact on yB and our objective is to
calculate the optimal values of inlet yA to keep trajectory of yB at the desired profile
and eliminate the e↵ect of deactivation. Using the nominal operating conditions,
and the model given in Equations (4.87)-(4.89) and (5.43), the steady-state profiles
of yA and yB were computed. Then, the nonlinear model was linearized around the
stationary states and transformed to the self-adjoint form of Equations (5.47)-(5.48).
Spectra of operators A11
and A22
were calculated using the algorithm discussed in
§5.2. In order to compute the spectrum of A11
, it was assumed that the length of the
reactor is divided into 50 equally-spaced sections and the coe�cient of the reaction
term is constant in each section. First five eigenvalues of the operator A11
are:
� = {�2.39 ⇥ 10�5,�1.34 ⇥ 10�4,�4.46 ⇥ 10�4,�1.12 ⇥ 10�3,�2.35 ⇥ 10�3}
The spectrum of A22
can be computed using Equations (4.41)-(4.43). First five
eigenvalues of A22
are:
� = {�2.04 ⇥ 10�6,�1.096 ⇥ 10�5,�5.68 ⇥ 10�5,�2.08 ⇥ 10�4,�5.78 ⇥ 10�4}
Finally, the spectrum of Ae was computed using Equations (5.33)-(5.35). The first
six eigenvalues of Ae is:
�(Ae) = {0,�0.001,�2.39⇥10�5,�2.04⇥10�6,�1.34⇥10�4,�1.096⇥10�5} (5.69)
and the associated eigenfunctions are shown in Figures 5.1-5.2. Once the eigenvalues
and eigenfunctions of the operator Ae are calculated, the LQ-feedback controller can
be computed using Equation (4.36). Note that since ⇧ is a self-adjoint operator,
h�n,⇧�mi = h�m,⇧�ni, therefore ⇧nm = ⇧mn. As a result, Equation (4.36) givesn(n+1)
2
coupled algebraic equations that should be solved simultaneously where n is
the number of modes that are used to formulate the controller. Since there are two
orders of magnitude di↵erence between the first and sixth eigenvalues of the operator
Ae, the e↵ect of higher order eigenvalues on the dynamic of the system is considered
to be negligible; therefore, in this work the first five modes were used for numerical
Sec. 5.6 Numerical Simulations 110
0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1!1
!0.8
!0.6
!0.4
!0.2
0
0.2
0.4
0.6
0.8
1
z (m)
!n(2
)
n=0 n=1,3,5 n=2 n=4
Figure 5.1: Second element of �n given by Equation (4.67) and Equations (4.62)-(4.63)
0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1!4
!3
!2
!1
0
1
2
3
z (m)
!n(3
)
n=0 n=1 n=2 n=3 n=4 n=5
Figure 5.2: Third element of �n given by Equation (4.67) and Equations (4.62)-(4.63)
Sec. 5.7 Summary 111
simulation. The computed LQ controller was applied to the nonlinear model of
the reactor. Simulation of the nonlinear system was performed using COMSOL R�.
The closed loop trajectory of error is shown in Figure 5.3 and the optimal input
trajectory is shown in Figure 5.4. Figure 5.3 illustrates that, as catalyst deactivates,
the controller is able to regulate the trajectory of yB at the desired steady state
trajectory.
01000
20003000
40005000
0
0.5
1!0.02
0
0.02
0.04
0.06
0.08
time (s)z (m)
Err
or
0
0.01
0.02
0.03
0.04
0.05
0.06
Figure 5.3: Closed loop trajectory of error yB � yBss
5.7 Summary
The infinite dimensional LQ controller for boundary control of an infinite dimensional
system modelled by coupled Parabolic PDE-ODE equations was studied. This
chapter was a very important step in formulation of an optimal controller for the
most general form of distributed parameter systems consisting of coupled parabolic
and hyperbolic PDEs, as well as ODEs. The coupled PDE-ODEs were converted
to a decoupled form using an exact transformation. Conditions on existence of
Sec. 5.7 Summary 112
0 500 1000 1500 2000 2500 3000 3500 4000 4500 50000.68
0.685
0.69
0.695
0.7
0.705
t (s)
YA
in
Figure 5.4: Optimal input trajectory
this transformation were studied. The decoupled system was then formulated as
a well-posed infinite dimensional system by extension of the approach introduced
in Chapter 4. It was shown that the resulting system is a Reisz Spectral system
and using the properties of Riesz spectral systems, the stabilizability of the system
was proven. Since the transformed well-posed system was a Riesz Spectral system,
the LQ controller formulated in Chapter 4 was applicable to this system as well.
The LQ controller was applied to a catalytic fixed bed reactor, where the rate of
catalyst deactivation was modelled by an ODE. The closed loop performance of
the controller was studied via numerical simulations. It was illustrated that the
formulated controller is able to eliminate the e↵ect of the catalyst deactivation.
6Conclusions and Recommendations
This thesis was concerned with the problem of the infinite dimensional optimal
controller design for distributed parameter systems with special emphasis on
transport-reaction processes (i.e., fixed-bed reactors) that are normally modelled
by partial di↵erential equations. Since the governing transport phenomenon in a
transport-reaction system determines the type of the PDEs involved in the modelling
(e.g., hyperbolic or parabolic), this thesis was divided to two parts to address
each type of PDE system independently. The goal was to develop the required
mathematical tools for solution of the optimal control problem for a general class of
distributed parameter systems representing a fixed-bed reactor with minimum number
of simplifying assumptions in the modelling of the reactor.
The first part of the thesis concentrated on catalytic reactors with negligible
di↵usion that are modelled by a set of hyperbolic systems. In Chapter 2, a LQ
controller for a set of time-varying coupled hyperbolic equations was formulated.
Exponential stability of these systems was analyzed using the Lyapunov approach. It
113
114
was shown that the solution of the optimal control problem could be found by solving
an equivalent matrix Riccati partial di↵erential equation. Numerical simulations
were performed to evaluate the closed loop performance of the designed controller
on a hydrotreating fixed-bed reactor. The performance of the proposed controller
was compared to the performance of an infinite dimensional controller formulated by
ignoring the catalyst deactivation. Simulation results showed that the performance of
the proposed controller is better than the controller that ignores catalyst deactivation,
when the deactivation time is comparable to the residence time of the reactor. In case
of very slow deactivation the two controllers had comparable performance.
Input and output constraints, as well as parameter uncertainty, are issues that
shall be considered in designing a controller. Chapter 3 addressed the problem
of constrained model predictive control of hyperbolic systems under parameter
uncertainty. A characteristic based robust model predictive control algorithm was
developed for a set of two time-scale hyperbolic PDEs. This class of hyperbolic
systems have two characteristic curves along which the set of PDEs can be represented
as a set of ODEs. Using this feature, the set of partial di↵erential equations was
transformed to a set of ODEs. In order to construct the state space model of the
system, the spatial domain was discretized by a finite number of discretization points.
The structure of the resulting state space model was explored. It was shown that the
resulting state space system has certain periodic features depending on the ratio of the
slopes of two characteristic curves. A very nice feature of the proposed algorithm is
preservation of finite impulse response property of the co-current hyperbolic systems.
This means the proposed method can tolerate discontinuities in the boundary
conditions as opposed to other discretization methods. In order to specify the
uncertainty of the plant, it was assumed that the real model of the system lies inside a
polytopic set ⌦ generated by uncertain models of the system. The MPC problem was
defined by nominal performance index but constraint satisfaction for all polytopic
models was ensured. A case study involving a hydrotreating reactor was used to
evaluate the closed loop response of the controller. In this case study two uncertain
115
parameters leading to four polytopic models existed. Simulation results indicated
that this algorithm is able to satisfy input and output constraints under parameter
uncertainty.
The second part of the thesis dealt with systems modelled by a set of parabolic
PDES. In chapter 4, optimal boundary control of infinite dimensional systems
described by a set of parabolic PDEs with spatially varying coe�cients was studied.
Such systems are results of linearization of nonlinear PDE model of the process around
its steady state profile. Using an exact transformation, the boundary control problem
was transformed to a well-posed infinite dimensional system. It was proven that
the resulting system is a Riesz Spectral system. Stabilizability of the system was
investigated using the spectral properties of the system. The most challenging part
of this chapter was to solve the eigenvalue problem for the set of coupled PDEs with
spatially varying coe�cients. The spectrum of the system is required to solve the
optimal control problem for Riesz-Spectral systems and unfortunately there is no
method available for analytical solution of a general form of the parabolic operator.
Therefore, some simplifying assumptions were made and then an innovative approach
for solution of eigenvalue problem was proposed. The basic idea for solution of the
problem was the solution method for the heat equation in composite media. Moreover,
by using the spectral properties of the system, the operator Riccati equation was
converted to a set of algebraic equations that could be solved numerically.
A tubular reactor with axial dispersion was considered as the case study. The
reactor can be modelled by a set of nonlinear parabolic partial di↵erential equations.
Linearization around the steady state profile of the system results in a set of
linear PDEs with spatially varying coe�cients. The performance of the formulated
controller was compared to a LQ controller based on finite di↵erence algorithm.
Simulation results showed that the infinite dimensional controller leads to better
performance in terms of l2-norm of the error.
In Chapter 5, the tools developed for optimal control of parabolic systems in
Chapter 4 were extended to the boundary control of an infinite dimensional system
Sec. 6.1 Future Work 116
modelled by coupled Parabolic PDE-ODE equations. An exact transformation was
introduced to convert the system to a decoupled form. Conditions on existence of
such a transformation were studied. Using another transformation, the boundary
control problem was formulated as a well-posed infinite dimensional system. It was
shown that the resulting system is a Reisz Spectral system and using the properties
of the Riesz spectral systems, the stabilizability of the system was proven. Since
the transformed well-posed system was a Riesz Spectral system, the LQ controller
formulated in Chapter 4 could be applied to it. This chapter took a very important
step in controller formulation for more general forms of distributed parameter systems
consisting of coupled parabolic and hyperbolic PDEs and ODES.
6.1 Future Work
This thesis took a significant step towards building required tools for solution of
optimal control problem for a general class of distributed parameter systems with
special focus on catalytic reactors. A number of challenges remain in the development
of the infinite dimensional controller for processes modelled by a general form of
infinite dimensional systems.
The Robust MPC studied in Chapter 3 used the method of characteristics as a
tool to convert the set of hyperbolic equations to state space system. This method
performs very well for systems with up to two characteristic equations, but for systems
with more than two characteristic equations the computation of the state space model
becomes very complicated. The method of characteristics is a special case of invariant
transformations in mathematics. For general case of hyperbolic system, an invariant
transformation approach might be useful in conversion of PDEs to ODEs. This
approach has not been used in engineering and could lead to significant contributions
in the area of infinite dimensional controllers.
The method proposed in Chapters 4 and 5 had a limitation on the structure of the
operator A. In order to solve the eigenvalue problem it was assumed that the infinite
dimensional operator had a triangular form, which means the coupling of the state
Sec. 6.1 Future Work 117
variables is one way. Solution of the eigenvalue problem for general form of infinite
dimensional operators cannot be performed analytically. For special cases the infinite
dimensional operator can be triangularized using a transformation. Exploration of
the conditions for existence of such a transformation is the topic that needs to be
addressed in future work.
A final important area for future work is to formulate infinite dimensional
controllers for systems modelled by a set of hyperbolic-parabolic PDEs. Many
chemical processes heat transfer can be represented by a hyperbolic PDE, but mass
transfer is modelled by a set of parabolic PDEs. Since the approaches for solution of
these two types of PDEs are di↵erent, it would be worthwhile to investigate how to
exploit two di↵erent approaches within one problem.
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